bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride

C93H129Br5ClN7O16 — CID 158717984

IUPACbromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride
SMILESCBr.COC1CCC(=NNc2cccc(Br)c2)CC1.COC1CCC(=O)CC1.COC1CCC2(CC1)OCCO2.COC1CCc2[nH]c3ccccc3c2C1.COC1CCc2c(c3c(Br)cccc3n2C(=O)OC(C)(C)C)C1.COC1CCc2c(c3ccc(Br)cc3n2C(=O)OC(C)(C)C)C1.Cl.NNc1cccc(Br)c1.OC1CCC2(CC1)OCCO2
InChIInChI=1S/2C18H22BrNO3.C13H17BrN2O.C13H15NO.C9H16O3.C8H14O3.C7H12O2.C6H7BrN2.CH3Br.ClH/c1-18(2,3)23-17(21)20-15-8-6-12(22-4)10-14(15)13-7-5-11(19)9-16(13)20;1-18(2,3)23-17(21)20-14-9-8-11(22-4)10-12(14)16-13(19)6-5-7-15(16)20;1-17-13-7-5-11(6-8-13)15-16-12-4-2-3-10(14)9-12;1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-10-8-2-4-9(5-3-8)11-6-7-12-9;9-7-1-3-8(4-2-7)10-5-6-11-8;1-9-7-4-2-6(8)3-5-7;7-5-2-1-3-6(4-5)9-8;1-2;/h5,7,9,12H,6,8,10H2,1-4H3;5-7,11H,8-10H2,1-4H3;2-4,9,13,16H,5-8H2,1H3;2-5,9,14H,6-8H2,1H3;8H,2-7H2,1H3;7,9H,1-6H2;7H,2-5H2,1H3;1-4,9H,8H2;1H3;1H/b;;15-11-;;;;;;;
InChIKeyKNTPKAMCODXUEO-DMVPYTTHSA-N
MW2036.06 g/mol
LogP22.15
Rot. Bonds9

About bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride

bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride (PubChem CID 158717984) has the molecular formula C93H129Br5ClN7O16 and a molecular weight of 2036.06 g/mol. Its IUPAC name is bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride.

Molecular Properties

Compound Namebromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride
PubChem CID158717984
Molecular FormulaC93H129Br5ClN7O16
Molecular Weight2036.06 g/mol
Exact Mass2029.51
IUPAC Namebromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride
SMILESCBr.COC1CCC(=NNc2cccc(Br)c2)CC1.COC1CCC(=O)CC1.COC1CCC2(CC1)OCCO2.COC1CCc2[nH]c3ccccc3c2C1.COC1CCc2c(c3c(Br)cccc3n2C(=O)OC(C)(C)C)C1.COC1CCc2c(c3ccc(Br)cc3n2C(=O)OC(C)(C)C)C1.Cl.NNc1cccc(Br)c1.OC1CCC2(CC1)OCCO2
InChIInChI=1S/2C18H22BrNO3.C13H17BrN2O.C13H15NO.C9H16O3.C8H14O3.C7H12O2.C6H7BrN2.CH3Br.ClH/c1-18(2,3)23-17(21)20-15-8-6-12(22-4)10-14(15)13-7-5-11(19)9-16(13)20;1-18(2,3)23-17(21)20-14-9-8-11(22-4)10-12(14)16-13(19)6-5-7-15(16)20;1-17-13-7-5-11(6-8-13)15-16-12-4-2-3-10(14)9-12;1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-10-8-2-4-9(5-3-8)11-6-7-12-9;9-7-1-3-8(4-2-7)10-5-6-11-8;1-9-7-4-2-6(8)3-5-7;7-5-2-1-3-6(4-5)9-8;1-2;/h5,7,9,12H,6,8,10H2,1-4H3;5-7,11H,8-10H2,1-4H3;2-4,9,13,16H,5-8H2,1H3;2-5,9,14H,6-8H2,1H3;8H,2-7H2,1H3;7,9H,1-6H2;7H,2-5H2,1H3;1-4,9H,8H2;1H3;1H/b;;15-11-;;;;;;;
InChIKeyKNTPKAMCODXUEO-DMVPYTTHSA-N
XLogP22.15
TPSA270.29 Ų
H-Bond Donors5
H-Bond Acceptors22
Rotatable Bonds9
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002036.06
LogP ≤ 522.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride with MolForge

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Related Compounds

7-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(3-bromophenyl)hydrazine;[4-[(3-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(5-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(7-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;methane;(4-oxocyclohexyl) benzoate;hydrochloride
CID 157346916
bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 5-bromo-3-methoxy-2,3,4,6-tetrahydro-1H-carbazol-6-ylium-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride
CID 157423865
7-bromo-3-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazole;7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-ol;(7-bromo-9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl) benzoate;(3-bromophenyl)hydrazine;[4-[(3-bromophenyl)hydrazinylidene]cyclohexyl] benzoate;(5-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(7-bromo-2,3,4,9-tetrahydro-1H-carbazol-3-yl) benzoate;(4-oxocyclohexyl) benzoate;hydrochloride
CID 160694545

Frequently Asked Questions

What is the IUPAC name of bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride?
The IUPAC name of bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride (CID 158717984) is bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride.
What is the SMILES notation for bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride?
The canonical SMILES for bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride is CBr.COC1CCC(=NNc2cccc(Br)c2)CC1.COC1CCC(=O)CC1.COC1CCC2(CC1)OCCO2.COC1CCc2[nH]c3ccccc3c2C1.COC1CCc2c(c3c(Br)cccc3n2C(=O)OC(C)(C)C)C1.COC1CCc2c(c3ccc(Br)cc3n2C(=O)OC(C)(C)C)C1.Cl.NNc1cccc(Br)c1.OC1CCC2(CC1)OCCO2.
What is the InChIKey of bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride?
The InChIKey is KNTPKAMCODXUEO-DMVPYTTHSA-N. The full InChI is InChI=1S/2C18H22BrNO3.C13H17BrN2O.C13H15NO.C9H16O3.C8H14O3.C7H12O2.C6H7BrN2.CH3Br.ClH/c1-18(2,3)23-17(21)20-15-8-6-12(22-4)10-14(15)13-7-5-11(19)9-16(13)20;1-18(2,3)23-17(21)20-14-9-8-11(22-4)10-12(14)16-13(19)6-5-7-15(16)20;1-17-13-7-5-11(6-8-13)15-16-12-4-2-3-10(14)9-12;1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13;1-10-8-2-4-9(5-3-8)11-6-7-12-9;9-7-1-3-8(4-2-7)10-5-6-11-8;1-9-7-4-2-6(8)3-5-7;7-5-2-1-3-6(4-5)9-8;1-2;/h5,7,9,12H,6,8,10H2,1-4H3;5-7,11H,8-10H2,1-4H3;2-4,9,13,16H,5-8H2,1H3;2-5,9,14H,6-8H2,1H3;8H,2-7H2,1H3;7,9H,1-6H2;7H,2-5H2,1H3;1-4,9H,8H2;1H3;1H/b;;15-11-;;;;;;;.
What are the key properties of bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride?
bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride has a molecular weight of 2036.06 g/mol, XLogP of 22.15, 9 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bromomethane;3-bromo-N-[(4-methoxycyclohexylidene)amino]aniline;(3-bromophenyl)hydrazine;tert-butyl 5-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;tert-butyl 7-bromo-3-methoxy-1,2,3,4-tetrahydrocarbazole-9-carboxylate;1,4-dioxaspiro[4.5]decan-8-ol;4-methoxycyclohexan-1-one;8-methoxy-1,4-dioxaspiro[4.5]decane;3-methoxy-2,3,4,9-tetrahydro-1H-carbazole;hydrochloride is sourced from PubChem (CID 158717984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).