bis(3-chlorocyclohexyl)methanamine

C13H23Cl2N — CID 141387769

IUPACbis(3-chlorocyclohexyl)methanamine
SMILESNC(C1CCCC(Cl)C1)C1CCCC(Cl)C1
InChIInChI=1S/C13H23Cl2N/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h9-13H,1-8,16H2
InChIKeyJKKLZQIXNXUDIO-UHFFFAOYSA-N
MW264.24 g/mol
LogP3.91
Rot. Bonds2

About bis(3-chlorocyclohexyl)methanamine

bis(3-chlorocyclohexyl)methanamine (PubChem CID 141387769) has the molecular formula C13H23Cl2N and a molecular weight of 264.24 g/mol. Its IUPAC name is bis(3-chlorocyclohexyl)methanamine.

Molecular Properties

Compound Namebis(3-chlorocyclohexyl)methanamine
PubChem CID141387769
Molecular FormulaC13H23Cl2N
Molecular Weight264.24 g/mol
Exact Mass263.12
IUPAC Namebis(3-chlorocyclohexyl)methanamine
SMILESNC(C1CCCC(Cl)C1)C1CCCC(Cl)C1
InChIInChI=1S/C13H23Cl2N/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h9-13H,1-8,16H2
InChIKeyJKKLZQIXNXUDIO-UHFFFAOYSA-N
XLogP3.91
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,3S)-1,3-dichlorocyclohexane
CID 22214628
(1S)-1-chloro-3-(1,2-difluoropropyl)cyclohexane
CID 134343911
1-chloro-3-propan-2-ylcyclononane
CID 155075907
cycloheptyl(cyclohexyl)methanamine
CID 65399873
3-bicyclo[3.1.0]hexanyl-(3-methylcyclohexyl)methanamine
CID 104992100
[chloro(cyclobutyl)methyl]cyclobutane
CID 130528915
cyclobutylmethanediamine
CID 141249006
(1R)-3-chloro-N-methylcyclohexan-1-amine
CID 134365842
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
3-bicyclo[3.1.0]hexanyl(cyclohexyl)methanamine
CID 114981359
trans-(1R,3R)-1-bromo-3-chlorocyclohexane
CID 130836761
cis-(1R,3S)-1-chloro-3-methylcyclohexane
CID 643040

Frequently Asked Questions

What is the IUPAC name of bis(3-chlorocyclohexyl)methanamine?
The IUPAC name of bis(3-chlorocyclohexyl)methanamine (CID 141387769) is bis(3-chlorocyclohexyl)methanamine.
What is the SMILES notation for bis(3-chlorocyclohexyl)methanamine?
The canonical SMILES for bis(3-chlorocyclohexyl)methanamine is NC(C1CCCC(Cl)C1)C1CCCC(Cl)C1.
What is the InChIKey of bis(3-chlorocyclohexyl)methanamine?
The InChIKey is JKKLZQIXNXUDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23Cl2N/c14-11-5-1-3-9(7-11)13(16)10-4-2-6-12(15)8-10/h9-13H,1-8,16H2.
What are the key properties of bis(3-chlorocyclohexyl)methanamine?
bis(3-chlorocyclohexyl)methanamine has a molecular weight of 264.24 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-chlorocyclohexyl)methanamine is sourced from PubChem (CID 141387769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).