N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine

C12H23N — CID 145234997

IUPACN-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine
SMILESC/C=C/CCC1CCC(NC)CC1
InChIInChI=1S/C12H23N/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,11-13H,5-10H2,1-2H3/b4-3+
InChIKeyMFDSRGMNIXSCLE-ONEGZZNKSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds4

About N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine

N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine (PubChem CID 145234997) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine
PubChem CID145234997
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine
SMILESC/C=C/CCC1CCC(NC)CC1
InChIInChI=1S/C12H23N/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,11-13H,5-10H2,1-2H3/b4-3+
InChIKeyMFDSRGMNIXSCLE-ONEGZZNKSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Cyclohex-3-enyl-1-methyl-ethylamine
CID 44272699
Ethylamine, N-allyl-2-(2-cyclopentenyl)-1-methyl-
CID 49661
Ethylamine, 2-(2-cyclopentenyl)-N,1-dimethyl-
CID 49662
3-Cyclohexene-1-methylamine, N-cyclopropyl-
CID 204181
3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
[(2,6-Dimethylcyclohex-2-en-1-yl)methyl](methyl)amine
CID 130645649
{[(1R)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798572
{[(1S)-cyclohex-3-en-1-yl]methyl}(methyl)amine hydrochloride
CID 177798581
N-[2-(cyclohexen-1-yl)ethyl]-1-cyclohexylpentan-2-amine
CID 172469915
(2-Cyclohex-1-EN-1-ylethyl)(cyclohexylmethyl)amine
CID 1787863
4-Fluoro-4-prop-1-enylcyclohexan-1-amine
CID 123794187
1-cyclohex-3-en-1-yl-N-(2-fluoroethyl)propan-2-amine
CID 129045764

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine?
The IUPAC name of N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine (CID 145234997) is N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine.
What is the SMILES notation for N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine?
The canonical SMILES for N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine is C/C=C/CCC1CCC(NC)CC1.
What is the InChIKey of N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine?
The InChIKey is MFDSRGMNIXSCLE-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H23N/c1-3-4-5-6-11-7-9-12(13-2)10-8-11/h3-4,11-13H,5-10H2,1-2H3/b4-3+.
What are the key properties of N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine?
N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[(E)-pent-3-enyl]cyclohexan-1-amine is sourced from PubChem (CID 145234997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).