2-chloro-N-nonylcyclohexan-1-amine

C15H30ClN — CID 65025435

IUPAC2-chloro-N-nonylcyclohexan-1-amine
SMILESCCCCCCCCCNC1CCCCC1Cl
InChIInChI=1S/C15H30ClN/c1-2-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16/h14-15,17H,2-13H2,1H3
InChIKeyPLYJUYSSJFBBDI-UHFFFAOYSA-N
MW259.86 g/mol
LogP4.88
Rot. Bonds9

About 2-chloro-N-nonylcyclohexan-1-amine

2-chloro-N-nonylcyclohexan-1-amine (PubChem CID 65025435) has the molecular formula C15H30ClN and a molecular weight of 259.86 g/mol. Its IUPAC name is 2-chloro-N-nonylcyclohexan-1-amine.

Molecular Properties

Compound Name2-chloro-N-nonylcyclohexan-1-amine
PubChem CID65025435
Molecular FormulaC15H30ClN
Molecular Weight259.86 g/mol
Exact Mass259.21
IUPAC Name2-chloro-N-nonylcyclohexan-1-amine
SMILESCCCCCCCCCNC1CCCCC1Cl
InChIInChI=1S/C15H30ClN/c1-2-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16/h14-15,17H,2-13H2,1H3
InChIKeyPLYJUYSSJFBBDI-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.86
LogP ≤ 54.88
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

2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-ethyl-N-heptylcyclohexan-1-amine
CID 43709374
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577
2-chloro-N-(3-ethylsulfonylpropyl)cyclohexan-1-amine
CID 65096824
2-chloro-N-(3-fluoropropyl)cyclohexan-1-amine
CID 81114051
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
N-dodecylcyclohexanamine
CID 3679395
2-methyl-N-octylthian-3-amine
CID 115567011
2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-nonylcyclohexan-1-amine?
The IUPAC name of 2-chloro-N-nonylcyclohexan-1-amine (CID 65025435) is 2-chloro-N-nonylcyclohexan-1-amine.
What is the SMILES notation for 2-chloro-N-nonylcyclohexan-1-amine?
The canonical SMILES for 2-chloro-N-nonylcyclohexan-1-amine is CCCCCCCCCNC1CCCCC1Cl.
What is the InChIKey of 2-chloro-N-nonylcyclohexan-1-amine?
The InChIKey is PLYJUYSSJFBBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30ClN/c1-2-3-4-5-6-7-10-13-17-15-12-9-8-11-14(15)16/h14-15,17H,2-13H2,1H3.
What are the key properties of 2-chloro-N-nonylcyclohexan-1-amine?
2-chloro-N-nonylcyclohexan-1-amine has a molecular weight of 259.86 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-nonylcyclohexan-1-amine is sourced from PubChem (CID 65025435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).