N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine

C15H29N — CID 81027900

IUPACN-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
SMILESC=CCCCC1CCCCC1CNCCC
InChIInChI=1S/C15H29N/c1-3-5-6-9-14-10-7-8-11-15(14)13-16-12-4-2/h3,14-16H,1,4-13H2,2H3
InChIKeySZPFZUNQCNUONW-UHFFFAOYSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds8

About N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine

N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine (PubChem CID 81027900) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
PubChem CID81027900
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC NameN-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine
SMILESC=CCCCC1CCCCC1CNCCC
InChIInChI=1S/C15H29N/c1-3-5-6-9-14-10-7-8-11-15(14)13-16-12-4-2/h3,14-16H,1,4-13H2,2H3
InChIKeySZPFZUNQCNUONW-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
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-butylcyclohexyl)methyl]propan-1-amine
CID 81028150
N-[(2-pent-4-enylcyclobutyl)methyl]ethanamine
CID 81018015
N-[(2-prop-2-enylcyclohexyl)methyl]propan-1-amine
CID 81027769
N-[(2-nonylcyclohexyl)methyl]propan-1-amine
CID 81028144
N-[(2-decylcyclopentyl)methyl]propan-1-amine
CID 81035001
N-[[2-(3-methylbut-3-enyl)cyclohexyl]methyl]propan-1-amine
CID 114477721
(2-pent-4-enylcyclohexyl)methanamine
CID 81010677
N-[[2-(3-phenoxypropyl)cyclohexyl]methyl]propan-1-amine
CID 81026864
N-[(2-decylcyclohexyl)methyl]ethanamine
CID 81027246
N-[[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 116628168
2-pent-4-enylcyclohexan-1-ol
CID 59087603
N-[[2-(2-methylprop-2-enyl)cyclopentyl]methyl]propan-1-amine
CID 81032712

Frequently Asked Questions

What is the IUPAC name of N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine?
The IUPAC name of N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine (CID 81027900) is N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine?
The canonical SMILES for N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine is C=CCCCC1CCCCC1CNCCC.
What is the InChIKey of N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine?
The InChIKey is SZPFZUNQCNUONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N/c1-3-5-6-9-14-10-7-8-11-15(14)13-16-12-4-2/h3,14-16H,1,4-13H2,2H3.
What are the key properties of N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine?
N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pent-4-enylcyclohexyl)methyl]propan-1-amine is sourced from PubChem (CID 81027900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).