N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine

C13H25N — CID 115881238

IUPACN-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCC1CCCC(C)C1
InChIInChI=1S/C13H25N/c1-4-6-12(3)14-10-13-8-5-7-11(2)9-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyHDCQXFMGUJWOLF-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds5

About N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine

N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine (PubChem CID 115881238) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine.

Molecular Properties

Compound NameN-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine
PubChem CID115881238
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine
SMILESC=CCC(C)NCC1CCCC(C)C1
InChIInChI=1S/C13H25N/c1-4-6-12(3)14-10-13-8-5-7-11(2)9-13/h4,11-14H,1,5-10H2,2-3H3
InChIKeyHDCQXFMGUJWOLF-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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

(2S)-N-(cyclopropylmethyl)pent-4-en-2-amine
CID 166665711
N-(oxan-4-ylmethyl)pent-4-en-2-amine
CID 115685663
(1R)-1-cycloheptyl-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81392098
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
(1S)-1-(4-bromophenyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 81359380
N-butan-2-yl-2-[(3-methylcyclohexyl)methylamino]propanamide
CID 113226839
N-[(3-methylcyclohexyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103778785
(2R)-1-[(3-methylcyclohexyl)methylamino]propan-2-ol
CID 103884165
N-[[(2S)-oxolan-2-yl]methyl]pent-4-en-2-amine
CID 166665828
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)pent-4-en-2-amine
CID 102897813
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 114129792
1-(furan-3-yl)-N-[(3-methylcyclohexyl)methyl]ethanamine
CID 115712271

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine?
The IUPAC name of N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine (CID 115881238) is N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine.
What is the SMILES notation for N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine?
The canonical SMILES for N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine is C=CCC(C)NCC1CCCC(C)C1.
What is the InChIKey of N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine?
The InChIKey is HDCQXFMGUJWOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-4-6-12(3)14-10-13-8-5-7-11(2)9-13/h4,11-14H,1,5-10H2,2-3H3.
What are the key properties of N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine?
N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylcyclohexyl)methyl]pent-4-en-2-amine is sourced from PubChem (CID 115881238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).