(2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine

C13H25N — CID 59620475

IUPAC(2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine
SMILESC=CC[C@H](CNC)CC1CCCCC1
InChIInChI=1S/C13H25N/c1-3-7-13(11-14-2)10-12-8-5-4-6-9-12/h3,12-14H,1,4-11H2,2H3/t13-/m0/s1
InChIKeyGYZGGZNXYGPCGQ-ZDUSSCGKSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds6

About (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine

(2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine (PubChem CID 59620475) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine
PubChem CID59620475
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine
SMILESC=CC[C@H](CNC)CC1CCCCC1
InChIInChI=1S/C13H25N/c1-3-7-13(11-14-2)10-12-8-5-4-6-9-12/h3,12-14H,1,4-11H2,2H3/t13-/m0/s1
InChIKeyGYZGGZNXYGPCGQ-ZDUSSCGKSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
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-cyclohexyl-N-methylpent-4-en-1-amine
CID 77230357
1-cyclohexylpent-4-en-2-ol
CID 13166988
2-ethyl-N-methylpent-4-en-1-amine
CID 131051104
3-cyclopentyl-N,2-dimethylpropan-1-amine
CID 62530877
(2R)-3-cyclopentyl-2-fluoro-N-methylpropan-1-amine
CID 129462680
2-(cyclopentylmethyl)-N,3-dimethylbutan-1-amine
CID 62529539
3-cyclopentyl-2-methoxy-N-methylpropan-1-amine
CID 105434938
dimethyl 2-(cyclohexylmethyl)-4-prop-2-enylpentanedioate
CID 11098495
N-tert-butyl-2-(cyclopentylmethyl)pent-4-enamide
CID 20790222
2-cycloheptyl-N-methylpropan-1-amine
CID 82931674
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
2-methylhex-5-enylcyclohexane
CID 142828676

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine?
The IUPAC name of (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine (CID 59620475) is (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine.
What is the SMILES notation for (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine?
The canonical SMILES for (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine is C=CC[C@H](CNC)CC1CCCCC1.
What is the InChIKey of (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine?
The InChIKey is GYZGGZNXYGPCGQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H25N/c1-3-7-13(11-14-2)10-12-8-5-4-6-9-12/h3,12-14H,1,4-11H2,2H3/t13-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine?
(2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethyl)-N-methylpent-4-en-1-amine is sourced from PubChem (CID 59620475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).