4-chloro-N-hexylcyclohexan-1-amine

C12H24ClN — CID 65024365

IUPAC4-chloro-N-hexylcyclohexan-1-amine
SMILESCCCCCCNC1CCC(Cl)CC1
InChIInChI=1S/C12H24ClN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h11-12,14H,2-10H2,1H3
InChIKeyUDIMISZLTGYAGI-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.71
Rot. Bonds6

About 4-chloro-N-hexylcyclohexan-1-amine

4-chloro-N-hexylcyclohexan-1-amine (PubChem CID 65024365) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 4-chloro-N-hexylcyclohexan-1-amine.

Molecular Properties

Compound Name4-chloro-N-hexylcyclohexan-1-amine
PubChem CID65024365
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name4-chloro-N-hexylcyclohexan-1-amine
SMILESCCCCCCNC1CCC(Cl)CC1
InChIInChI=1S/C12H24ClN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h11-12,14H,2-10H2,1H3
InChIKeyUDIMISZLTGYAGI-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-octylcyclohexan-1-amine
CID 65023952
4-chloro-N-decylcyclohexan-1-amine
CID 65024074
N'-cyclopropyl-N-decylpropane-1,3-diamine
CID 113410376
N-decyl-4-ethylcyclohexan-1-amine
CID 63492402
4-(pentylamino)cyclohexane-1-carboxylic acid
CID 60810044
N-dodecylcyclohexanamine
CID 3679395
N-hexyl-4-propan-2-ylcyclohexan-1-amine
CID 63421018
N,N'-dicyclopropyloctane-1,8-diamine
CID 66337537
3-methyl-N-octylcyclopentan-1-amine
CID 115566670
N-pentyl-4-propan-2-ylcyclohexan-1-amine
CID 63418461
N-cyclopropyl-N'-methyl-N'-pentylbutane-1,4-diamine
CID 62420379
N-decyl-4,4-difluorocyclohexan-1-amine
CID 158702871

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-hexylcyclohexan-1-amine?
The IUPAC name of 4-chloro-N-hexylcyclohexan-1-amine (CID 65024365) is 4-chloro-N-hexylcyclohexan-1-amine.
What is the SMILES notation for 4-chloro-N-hexylcyclohexan-1-amine?
The canonical SMILES for 4-chloro-N-hexylcyclohexan-1-amine is CCCCCCNC1CCC(Cl)CC1.
What is the InChIKey of 4-chloro-N-hexylcyclohexan-1-amine?
The InChIKey is UDIMISZLTGYAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24ClN/c1-2-3-4-5-10-14-12-8-6-11(13)7-9-12/h11-12,14H,2-10H2,1H3.
What are the key properties of 4-chloro-N-hexylcyclohexan-1-amine?
4-chloro-N-hexylcyclohexan-1-amine has a molecular weight of 217.78 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-hexylcyclohexan-1-amine is sourced from PubChem (CID 65024365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).