N-(2-methylidenepent-4-enyl)hept-1-en-2-amine

C13H23N — CID 167240610

IUPACN-(2-methylidenepent-4-enyl)hept-1-en-2-amine
SMILESC=CCC(=C)CNC(=C)CCCCC
InChIInChI=1S/C13H23N/c1-5-7-8-10-13(4)14-11-12(3)9-6-2/h6,14H,2-5,7-11H2,1H3
InChIKeyOVQBHQDFXAYKMI-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.80
Rot. Bonds9

About N-(2-methylidenepent-4-enyl)hept-1-en-2-amine

N-(2-methylidenepent-4-enyl)hept-1-en-2-amine (PubChem CID 167240610) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-methylidenepent-4-enyl)hept-1-en-2-amine.

Molecular Properties

Compound NameN-(2-methylidenepent-4-enyl)hept-1-en-2-amine
PubChem CID167240610
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-methylidenepent-4-enyl)hept-1-en-2-amine
SMILESC=CCC(=C)CNC(=C)CCCCC
InChIInChI=1S/C13H23N/c1-5-7-8-10-13(4)14-11-12(3)9-6-2/h6,14H,2-5,7-11H2,1H3
InChIKeyOVQBHQDFXAYKMI-UHFFFAOYSA-N
XLogP3.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.80
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'}

Analyze N-(2-methylidenepent-4-enyl)hept-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenepent-4-enyl)hept-1-en-2-amine?
The IUPAC name of N-(2-methylidenepent-4-enyl)hept-1-en-2-amine (CID 167240610) is N-(2-methylidenepent-4-enyl)hept-1-en-2-amine.
What is the SMILES notation for N-(2-methylidenepent-4-enyl)hept-1-en-2-amine?
The canonical SMILES for N-(2-methylidenepent-4-enyl)hept-1-en-2-amine is C=CCC(=C)CNC(=C)CCCCC.
What is the InChIKey of N-(2-methylidenepent-4-enyl)hept-1-en-2-amine?
The InChIKey is OVQBHQDFXAYKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-5-7-8-10-13(4)14-11-12(3)9-6-2/h6,14H,2-5,7-11H2,1H3.
What are the key properties of N-(2-methylidenepent-4-enyl)hept-1-en-2-amine?
N-(2-methylidenepent-4-enyl)hept-1-en-2-amine has a molecular weight of 193.33 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenepent-4-enyl)hept-1-en-2-amine is sourced from PubChem (CID 167240610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).