N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine

C18H37N — CID 123669441

IUPACN-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)C1CCCC(C)C1CCC
InChIInChI=1S/C18H37N/c1-5-7-8-9-14-19-16(4)18-13-10-12-15(3)17(18)11-6-2/h15-19H,5-14H2,1-4H3
InChIKeyACRZFTBQVPNCQG-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.40
Rot. Bonds9

About N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine

N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine (PubChem CID 123669441) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine
PubChem CID123669441
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC NameN-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine
SMILESCCCCCCNC(C)C1CCCC(C)C1CCC
InChIInChI=1S/C18H37N/c1-5-7-8-9-14-19-16(4)18-13-10-12-15(3)17(18)11-6-2/h15-19H,5-14H2,1-4H3
InChIKeyACRZFTBQVPNCQG-UHFFFAOYSA-N
XLogP5.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.40
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

N-[(1S)-1-cyclopentylethyl]decan-1-amine
CID 81396118
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]decan-1-amine
CID 60668799
N-(1-cyclohexylethyl)decan-1-amine
CID 55195239
N-[(1S)-1-cyclohexylethyl]heptan-1-amine
CID 81387571
N-[(1R)-1-cyclohexylethyl]hexan-1-amine
CID 81384209
1,3-dimethyl-2-propylcycloheptane
CID 123611013
N-propan-2-ylicosan-1-amine
CID 87246132
1-methyl-3-propan-2-yl-2-propylcyclopentane
CID 123480438
2-ethyl-1-hexan-2-yl-3-methylcyclohexane
CID 123270961
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane
CID 143260975

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine?
The IUPAC name of N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine (CID 123669441) is N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine?
The canonical SMILES for N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine is CCCCCCNC(C)C1CCCC(C)C1CCC.
What is the InChIKey of N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine?
The InChIKey is ACRZFTBQVPNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-5-7-8-9-14-19-16(4)18-13-10-12-15(3)17(18)11-6-2/h15-19H,5-14H2,1-4H3.
What are the key properties of N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine?
N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine has a molecular weight of 267.50 g/mol, XLogP of 5.40, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine is sourced from PubChem (CID 123669441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).