2-ethyl-N-heptylcyclohexan-1-amine

C15H31N — CID 43709374

IUPAC2-ethyl-N-heptylcyclohexan-1-amine
SMILESCCCCCCCNC1CCCCC1CC
InChIInChI=1S/C15H31N/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h14-16H,3-13H2,1-2H3
InChIKeyVILLTJKVDQHSKL-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds8

About 2-ethyl-N-heptylcyclohexan-1-amine

2-ethyl-N-heptylcyclohexan-1-amine (PubChem CID 43709374) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 2-ethyl-N-heptylcyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-heptylcyclohexan-1-amine
PubChem CID43709374
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name2-ethyl-N-heptylcyclohexan-1-amine
SMILESCCCCCCCNC1CCCCC1CC
InChIInChI=1S/C15H31N/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h14-16H,3-13H2,1-2H3
InChIKeyVILLTJKVDQHSKL-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-octylcyclopentan-1-amine
CID 115566940
trans-(1R,2R)-2-N-dodecylcyclohexane-1,2-diamine
CID 158355577
trans-(1R,2R)-2-N-hexylcyclohexane-1,2-diamine;dihydrochloride
CID 139240198
trans-(1R,2R)-2-fluoro-N-pentylcyclohexan-1-amine
CID 126847778
2-chloro-N-nonylcyclohexan-1-amine
CID 65025435
2-(nonylamino)cyclohexan-1-ol
CID 62360571
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
2-tert-butyl-N-octylcyclohexan-1-amine
CID 60663873
3-[(2-hexylcyclopentyl)amino]propan-1-ol
CID 115705219
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846
7-[(1S)-2-(heptylamino)cyclopentyl]heptanoic acid
CID 10041163
N'-tert-butyl-N-(2-ethylcyclohexyl)ethane-1,2-diamine
CID 107445044

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-heptylcyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-heptylcyclohexan-1-amine (CID 43709374) is 2-ethyl-N-heptylcyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-heptylcyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-heptylcyclohexan-1-amine is CCCCCCCNC1CCCCC1CC.
What is the InChIKey of 2-ethyl-N-heptylcyclohexan-1-amine?
The InChIKey is VILLTJKVDQHSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-6-7-10-13-16-15-12-9-8-11-14(15)4-2/h14-16H,3-13H2,1-2H3.
What are the key properties of 2-ethyl-N-heptylcyclohexan-1-amine?
2-ethyl-N-heptylcyclohexan-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-heptylcyclohexan-1-amine is sourced from PubChem (CID 43709374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).