2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine

C19H33N — CID 123795219

IUPAC2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine
SMILESCCC(CCC1=CCCCC=C1)C1CCCCC1NC
InChIInChI=1S/C19H33N/c1-3-17(18-12-8-9-13-19(18)20-2)15-14-16-10-6-4-5-7-11-16/h6,10-11,17-20H,3-5,7-9,12-15H2,1-2H3
InChIKeyZHZIUTRPUVFYJM-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.24
Rot. Bonds6

About 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine

2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine (PubChem CID 123795219) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine
PubChem CID123795219
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine
SMILESCCC(CCC1=CCCCC=C1)C1CCCCC1NC
InChIInChI=1S/C19H33N/c1-3-17(18-12-8-9-13-19(18)20-2)15-14-16-10-6-4-5-7-11-16/h6,10-11,17-20H,3-5,7-9,12-15H2,1-2H3
InChIKeyZHZIUTRPUVFYJM-UHFFFAOYSA-N
XLogP5.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
2-(4-Fluoro-3-methylcyclohex-3-en-1-yl)-3-(3-propan-2-yl-4-propylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 123157584
N-[(2-ethenyl-4-ethyl-5-fluoro-4-pentylcyclohept-2-en-1-yl)methyl]-2,3,8-trimethyl-7-propylcyclooct-2-en-1-amine
CID 123673126
N-butyl-4-[(6E,8E)-9-fluoro-5,6-dimethylundeca-6,8-dien-2-yl]cycloheptan-1-amine
CID 130256882
N-[2-[2-(2-ethylpentyl)-5-fluorocyclohepta-2,4-dien-1-yl]ethyl]propan-2-amine
CID 130371419
3-cyclohex-3-en-1-yl-7-(4-fluoro-2-methylcyclohexa-2,4-dien-1-yl)-N,8-dimethyl-4-methylidene-2,3,6,7-tetrahydro-1H-naphthalen-1-amine
CID 135128083
(2Z,4E)-2-(6-ethenyl-3,5-dimethylcyclohexa-2,4-dien-1-yl)-5-fluoro-N-methylcycloocta-2,4,6-trien-1-amine
CID 169880982
(3E,5E)-N-(3-cyclohexylpropyl)-3-ethenyl-5-fluoro-2-methylhepta-3,5-dien-1-amine
CID 172235507
(2R)-1-[(1S)-7-fluoro-2,3,4,8-tetrahydro-1H-benzo[7]annulen-1-yl]-N-methylpentan-2-amine
CID 178102421
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
3-[(E)-prop-1-enyl]-3a,4,5,6,7,7a-hexahydro-1H-indole
CID 164680704

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine (CID 123795219) is 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine is CCC(CCC1=CCCCC=C1)C1CCCCC1NC.
What is the InChIKey of 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine?
The InChIKey is ZHZIUTRPUVFYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-3-17(18-12-8-9-13-19(18)20-2)15-14-16-10-6-4-5-7-11-16/h6,10-11,17-20H,3-5,7-9,12-15H2,1-2H3.
What are the key properties of 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine?
2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine has a molecular weight of 275.48 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohepta-1,6-dien-1-ylpentan-3-yl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 123795219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).