4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine

C65H128Cl3N7O7S — CID 159442569

IUPAC4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine
SMILESCC(C)(C)O.CC(C)(Cl)Cl.CC(C)(O)CCCN.CC(C)(O)CCN.CC(C)(O)CCc1cccnc1.CC(C)(O)Cn1ccnc1.CC(C)(O)Sc1ccc(Cl)cc1.CC(C)NC1CCCCCC1.CCCCCN(C)CCC(C)(C)O
InChIInChI=1S/C11H25NO.C10H15NO.C10H21N.C9H11ClOS.C7H12N2O.C6H15NO.C5H13NO.C4H10O.C3H6Cl2/c1-5-6-7-9-12(4)10-8-11(2,3)13;1-10(2,12)6-5-9-4-3-7-11-8-9;1-9(2)11-10-7-5-3-4-6-8-10;1-9(2,11)12-8-5-3-7(10)4-6-8;1-7(2,10)5-9-4-3-8-6-9;1-6(2,8)4-3-5-7;1-5(2,7)3-4-6;1-4(2,3)5;1-3(2,4)5/h13H,5-10H2,1-4H3;3-4,7-8,12H,5-6H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,11H,1-2H3;3-4,6,10H,5H2,1-2H3;8H,3-5,7H2,1-2H3;7H,3-4,6H2,1-2H3;5H,1-3H3;1-2H3
InChIKeyLSIXLIUMRBBQPD-UHFFFAOYSA-N
MW1258.21 g/mol
LogP14.16
Rot. Bonds21

About 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine

4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine (PubChem CID 159442569) has the molecular formula C65H128Cl3N7O7S and a molecular weight of 1258.21 g/mol. Its IUPAC name is 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine.

Molecular Properties

Compound Name4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine
PubChem CID159442569
Molecular FormulaC65H128Cl3N7O7S
Molecular Weight1258.21 g/mol
Exact Mass1255.87
IUPAC Name4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine
SMILESCC(C)(C)O.CC(C)(Cl)Cl.CC(C)(O)CCCN.CC(C)(O)CCN.CC(C)(O)CCc1cccnc1.CC(C)(O)Cn1ccnc1.CC(C)(O)Sc1ccc(Cl)cc1.CC(C)NC1CCCCCC1.CCCCCN(C)CCC(C)(C)O
InChIInChI=1S/C11H25NO.C10H15NO.C10H21N.C9H11ClOS.C7H12N2O.C6H15NO.C5H13NO.C4H10O.C3H6Cl2/c1-5-6-7-9-12(4)10-8-11(2,3)13;1-10(2,12)6-5-9-4-3-7-11-8-9;1-9(2)11-10-7-5-3-4-6-8-10;1-9(2,11)12-8-5-3-7(10)4-6-8;1-7(2,10)5-9-4-3-8-6-9;1-6(2,8)4-3-5-7;1-5(2,7)3-4-6;1-4(2,3)5;1-3(2,4)5/h13H,5-10H2,1-4H3;3-4,7-8,12H,5-6H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,11H,1-2H3;3-4,6,10H,5H2,1-2H3;8H,3-5,7H2,1-2H3;7H,3-4,6H2,1-2H3;5H,1-3H3;1-2H3
InChIKeyLSIXLIUMRBBQPD-UHFFFAOYSA-N
XLogP14.16
TPSA239.63 Ų
H-Bond Donors10
H-Bond Acceptors15
Rotatable Bonds21
Heavy Atoms83
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001258.21
LogP ≤ 514.16
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;(2-cycloheptyl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;(1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
CID 158584083
(3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid;[(cycloheptylamino)-phosphonomethyl]phosphonic acid;[(cyclohexylamino)-phosphonomethyl]phosphonic acid;(1-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1-phosphonoethyl)phosphonic acid;[1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid;(1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid
CID 160728827
1-[4-(4-chlorophenyl)-2-(4-chlorophenyl)sulfanyl-2-ethylbutyl]imidazole
CID 22762762
1-[2-(4-bromophenyl)sulfanyl-4-(4-chlorophenyl)-2-methylbutyl]imidazole
CID 22762995
2-(4-chlorophenyl)-1-imidazol-1-yl-4-phenylbutan-2-ol
CID 14076108
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
1-[4-(4-chlorophenyl)-2-(2,3-dichlorophenyl)sulfanyl-2-methylbutyl]imidazole
CID 22762805
1-imidazol-1-yl-2-methyl-4-phenylbutan-2-ol
CID 22762802
3-ethylimidazo[1,2-a]pyridine;1-ethylimidazole;N-ethyl-N-methylpentan-1-amine;3-ethylpyridine
CID 159275965
1-[3-(4-chlorophenyl)-2-[(4-chlorophenyl)methyl]-2-methylpropyl]imidazole
CID 70554052
2-N-methyl-2-N-(2-pyridin-3-ylethyl)propane-1,2-diamine
CID 112708855
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine?
The IUPAC name of 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine (CID 159442569) is 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine.
What is the SMILES notation for 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine?
The canonical SMILES for 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine is CC(C)(C)O.CC(C)(Cl)Cl.CC(C)(O)CCCN.CC(C)(O)CCN.CC(C)(O)CCc1cccnc1.CC(C)(O)Cn1ccnc1.CC(C)(O)Sc1ccc(Cl)cc1.CC(C)NC1CCCCCC1.CCCCCN(C)CCC(C)(C)O.
What is the InChIKey of 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine?
The InChIKey is LSIXLIUMRBBQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.C10H15NO.C10H21N.C9H11ClOS.C7H12N2O.C6H15NO.C5H13NO.C4H10O.C3H6Cl2/c1-5-6-7-9-12(4)10-8-11(2,3)13;1-10(2,12)6-5-9-4-3-7-11-8-9;1-9(2)11-10-7-5-3-4-6-8-10;1-9(2,11)12-8-5-3-7(10)4-6-8;1-7(2,10)5-9-4-3-8-6-9;1-6(2,8)4-3-5-7;1-5(2,7)3-4-6;1-4(2,3)5;1-3(2,4)5/h13H,5-10H2,1-4H3;3-4,7-8,12H,5-6H2,1-2H3;9-11H,3-8H2,1-2H3;3-6,11H,1-2H3;3-4,6,10H,5H2,1-2H3;8H,3-5,7H2,1-2H3;7H,3-4,6H2,1-2H3;5H,1-3H3;1-2H3.
What are the key properties of 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine?
4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine has a molecular weight of 1258.21 g/mol, XLogP of 14.16, 21 rotatable bonds, 10 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylbutan-2-ol;5-amino-2-methylpentan-2-ol;2-(4-chlorophenyl)sulfanylpropan-2-ol;2,2-dichloropropane;1-imidazol-1-yl-2-methylpropan-2-ol;2-methyl-4-[methyl(pentyl)amino]butan-2-ol;2-methylpropan-2-ol;2-methyl-4-pyridin-3-ylbutan-2-ol;N-propan-2-ylcycloheptanamine is sourced from PubChem (CID 159442569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).