1-cyclohexyl-N-ethylheptan-2-amine

C15H31N — CID 115837188

IUPAC1-cyclohexyl-N-ethylheptan-2-amine
SMILESCCCCCC(CC1CCCCC1)NCC
InChIInChI=1S/C15H31N/c1-3-5-7-12-15(16-4-2)13-14-10-8-6-9-11-14/h14-16H,3-13H2,1-2H3
InChIKeyVVLJJRCDZPKWKJ-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.52
Rot. Bonds8

About 1-cyclohexyl-N-ethylheptan-2-amine

1-cyclohexyl-N-ethylheptan-2-amine (PubChem CID 115837188) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 1-cyclohexyl-N-ethylheptan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-ethylheptan-2-amine
PubChem CID115837188
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name1-cyclohexyl-N-ethylheptan-2-amine
SMILESCCCCCC(CC1CCCCC1)NCC
InChIInChI=1S/C15H31N/c1-3-5-7-12-15(16-4-2)13-14-10-8-6-9-11-14/h14-16H,3-13H2,1-2H3
InChIKeyVVLJJRCDZPKWKJ-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

1-cyclopropyl-N-ethyltridecan-2-amine
CID 104986536
1-cyclopentyl-N-propyldodecan-2-amine
CID 115845917
1-cyclohexyl-N-methylheptan-2-amine
CID 115836969
1-cyclohexyl-N-ethylnon-8-en-2-amine
CID 107011937
1-cyclopentylheptan-2-ylhydrazine
CID 105294676
N-ethyl-1-(thian-4-yl)nonan-2-amine
CID 105125122
1-cycloheptyl-3-cyclopropyl-N-ethylpropan-2-amine
CID 104986481
1,3-dicyclopentyl-N-ethylpropan-2-amine
CID 115847226
1-cyclobutyl-3-cyclopentyl-N-ethylpropan-2-amine
CID 115863503
1-cycloheptyl-N-methylhexan-2-amine
CID 115832695
1-cyclobutyl-N-methylnonan-2-amine
CID 115863864
1-cyclohexyl-N-propylpentan-2-amine
CID 63413972

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-ethylheptan-2-amine?
The IUPAC name of 1-cyclohexyl-N-ethylheptan-2-amine (CID 115837188) is 1-cyclohexyl-N-ethylheptan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-ethylheptan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-ethylheptan-2-amine is CCCCCC(CC1CCCCC1)NCC.
What is the InChIKey of 1-cyclohexyl-N-ethylheptan-2-amine?
The InChIKey is VVLJJRCDZPKWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-3-5-7-12-15(16-4-2)13-14-10-8-6-9-11-14/h14-16H,3-13H2,1-2H3.
What are the key properties of 1-cyclohexyl-N-ethylheptan-2-amine?
1-cyclohexyl-N-ethylheptan-2-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 1-cyclohexyl-N-ethylheptan-2-amine is sourced from PubChem (CID 115837188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).