1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine

C16H31N — CID 107189124

IUPAC1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCCCC1(C)C
InChIInChI=1S/C16H31N/c1-5-7-8-12-15(17-6-2)14-11-9-10-13-16(14,3)4/h5,14-15,17H,1,6-13H2,2-4H3
InChIKeyKODUUYPFWZZWGG-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.54
Rot. Bonds7

About 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine

1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine (PubChem CID 107189124) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine.

Molecular Properties

Compound Name1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
PubChem CID107189124
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine
SMILESC=CCCCC(NCC)C1CCCCC1(C)C
InChIInChI=1S/C16H31N/c1-5-7-8-12-15(17-6-2)14-11-9-10-13-16(14,3)4/h5,14-15,17H,1,6-13H2,2-4H3
InChIKeyKODUUYPFWZZWGG-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclopentanamine
CID 25242507
2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]-N-propan-2-ylprop-2-en-1-amine
CID 44570775
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]butan-1-amine
CID 44570707
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]-2-methylpropan-2-amine
CID 44570708
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclohexanamine
CID 44570709
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclooctanamine
CID 44570710
7-N-ethyl-3-fluoro-4,4,12-trimethyl-8-propan-2-yltridec-1-ene-5,7-diamine
CID 91353599
(2S,4R)-N-but-3-en-2-yl-7-fluoro-2-methyl-1-[1-(4-methylcyclohexyl)cyclopropyl]octan-4-amine
CID 173516526
N-(2-methylpropyl)-2-prop-2-enylcyclohexan-1-amine
CID 85614646
N-(cyclohexylmethyl)-2,2-dimethylpent-4-en-1-amine
CID 85617980
4-cyclohexyl-2,6-dimethyl-N-prop-2-enylhepta-1,6-dien-4-amine
CID 135079228
N-ethyl-2-methylnon-8-en-3-amine
CID 64496500

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine?
The IUPAC name of 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine (CID 107189124) is 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine.
What is the SMILES notation for 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine?
The canonical SMILES for 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine is C=CCCCC(NCC)C1CCCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine?
The InChIKey is KODUUYPFWZZWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-5-7-8-12-15(17-6-2)14-11-9-10-13-16(14,3)4/h5,14-15,17H,1,6-13H2,2-4H3.
What are the key properties of 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine?
1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclohexyl)-N-ethylhex-5-en-1-amine is sourced from PubChem (CID 107189124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).