7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine

C25H41Br2N — CID 140504776

IUPAC7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
SMILESCC1CCC(N(C2CCC(Br)C3CCCC32)C2CCC(Br)C3CCCC32)CC1
InChIInChI=1S/C25H41Br2N/c1-16-8-10-17(11-9-16)28(24-14-12-22(26)18-4-2-6-20(18)24)25-15-13-23(27)19-5-3-7-21(19)25/h16-25H,2-15H2,1H3
InChIKeyQGSHHTCYLMULKJ-UHFFFAOYSA-N
MW515.42 g/mol
LogP7.55
Rot. Bonds3

About 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine

7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine (PubChem CID 140504776) has the molecular formula C25H41Br2N and a molecular weight of 515.42 g/mol. Its IUPAC name is 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine.

Molecular Properties

Compound Name7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
PubChem CID140504776
Molecular FormulaC25H41Br2N
Molecular Weight515.42 g/mol
Exact Mass513.16
IUPAC Name7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
SMILESCC1CCC(N(C2CCC(Br)C3CCCC32)C2CCC(Br)C3CCCC32)CC1
InChIInChI=1S/C25H41Br2N/c1-16-8-10-17(11-9-16)28(24-14-12-22(26)18-4-2-6-20(18)24)25-15-13-23(27)19-5-3-7-21(19)25/h16-25H,2-15H2,1H3
InChIKeyQGSHHTCYLMULKJ-UHFFFAOYSA-N
XLogP7.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.42
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine with MolForge

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Related Compounds

1-N,6-N-bis(4-methoxycyclohexyl)-1-N,6-N-bis(4-methylcyclohexyl)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,6-diamine
CID 140550217
N,1-dicyclohexyl-N-(1-cyclohexyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine
CID 58897797
N-[4-[(E)-2-[4-[4-(dicyclohexylamino)cyclohexyl]cyclohexyl]ethenyl]cyclohexyl]-4-methyl-N-(4-methylcyclohexyl)cyclohexan-1-amine
CID 140503123
1,5,9,13,17,21-hexamethylcyclotetracosane
CID 164675975
N-cyclopentyl-N-ethyl-4-methylcyclohexan-1-amine
CID 58662071
N,N-diethyl-4-methylcycloheptan-1-amine;hydrofluoride
CID 23299105
1-(3-bromo-2-methylcyclopentyl)-4-methylcyclohexane
CID 64908823
N-(2,4-dimethylcyclohexyl)-N-(4-ethenylcyclohexyl)-2,4-dimethylcyclohexan-1-amine
CID 140571030
2-[methyl-(4-methylcyclohexyl)amino]cyclopentan-1-ol
CID 60711910
N-[4-[4-[[4-[4-[[4-[4-[1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl(cyclohexyl)amino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-cyclohexylamino]cyclohexyl]cyclohexyl]-N-cyclohexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-amine
CID 170101439
1-N,6-N-bis(4-methylcyclohexyl)-1-N,6-N-bis(4-octylcyclohexyl)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene-1,6-diamine
CID 140550336
N-cyclohexyl-4-(4-methylcyclohexyl)-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosan-18-yl)cyclohexyl]cyclohexan-1-amine
CID 164986063

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
The IUPAC name of 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine (CID 140504776) is 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine.
What is the SMILES notation for 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
The canonical SMILES for 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine is CC1CCC(N(C2CCC(Br)C3CCCC32)C2CCC(Br)C3CCCC32)CC1.
What is the InChIKey of 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
The InChIKey is QGSHHTCYLMULKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41Br2N/c1-16-8-10-17(11-9-16)28(24-14-12-22(26)18-4-2-6-20(18)24)25-15-13-23(27)19-5-3-7-21(19)25/h16-25H,2-15H2,1H3.
What are the key properties of 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine?
7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine has a molecular weight of 515.42 g/mol, XLogP of 7.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(7-bromo-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)-N-(4-methylcyclohexyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-amine is sourced from PubChem (CID 140504776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).