2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine

C13H24Br2N2 — CID 22286745

IUPAC2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine
SMILESNC1(Br)CCCCC1CC1CCCCC1(N)Br
InChIInChI=1S/C13H24Br2N2/c14-12(16)7-3-1-5-10(12)9-11-6-2-4-8-13(11,15)17/h10-11H,1-9,16-17H2
InChIKeyYUQDJILQEAFRAT-UHFFFAOYSA-N
MW368.16 g/mol
LogP3.86
Rot. Bonds2

About 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine

2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine (PubChem CID 22286745) has the molecular formula C13H24Br2N2 and a molecular weight of 368.16 g/mol. Its IUPAC name is 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine.

Molecular Properties

Compound Name2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine
PubChem CID22286745
Molecular FormulaC13H24Br2N2
Molecular Weight368.16 g/mol
Exact Mass366.03
IUPAC Name2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine
SMILESNC1(Br)CCCCC1CC1CCCCC1(N)Br
InChIInChI=1S/C13H24Br2N2/c14-12(16)7-3-1-5-10(12)9-11-6-2-4-8-13(11,15)17/h10-11H,1-9,16-17H2
InChIKeyYUQDJILQEAFRAT-UHFFFAOYSA-N
XLogP3.86
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine 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

trans-(1R,2S)-1-bromo-2-chlorocyclohexan-1-amine
CID 173103835
1-ethylcyclohexane-1,2-diamine
CID 67021542
(8S)-spiro[2.5]octan-8-amine
CID 89147381
spiro[5.6]dodecan-12-amine
CID 15021866
(8R)-spiro[2.5]octan-8-amine
CID 89147380
[(1R,2S)-2-amino-2-methylcyclohexyl]methanol;hydrochloride
CID 17039395
2-prop-2-enylcyclohexane-1,1-diamine
CID 175214314
[(1S)-2,2-dimethylcyclohexyl]methanamine
CID 90019536
(2,2-dimethylcyclohexyl)methanamine
CID 22484483
1-prop-2-enylcyclohexane-1,2-diamine
CID 68617313
(2,2-difluorocyclohexyl)methanamine;hydrochloride
CID 105441933
2-(2,2-dimethylpropyl)-1,1-dimethylcyclohexane
CID 19857490

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine?
The IUPAC name of 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine (CID 22286745) is 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine.
What is the SMILES notation for 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine?
The canonical SMILES for 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine is NC1(Br)CCCCC1CC1CCCCC1(N)Br.
What is the InChIKey of 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine?
The InChIKey is YUQDJILQEAFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24Br2N2/c14-12(16)7-3-1-5-10(12)9-11-6-2-4-8-13(11,15)17/h10-11H,1-9,16-17H2.
What are the key properties of 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine?
2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine has a molecular weight of 368.16 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-bromocyclohexyl)methyl]-1-bromocyclohexan-1-amine is sourced from PubChem (CID 22286745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).