N-pent-4-en-2-ylhexan-3-amine

C11H23N — CID 103921873

IUPACN-pent-4-en-2-ylhexan-3-amine
SMILESC=CCC(C)NC(CC)CCC
InChIInChI=1S/C11H23N/c1-5-8-10(4)12-11(7-3)9-6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyMOAZQNVYZQXACN-UHFFFAOYSA-N
MW169.31 g/mol
LogP3.12
Rot. Bonds7

About N-pent-4-en-2-ylhexan-3-amine

N-pent-4-en-2-ylhexan-3-amine (PubChem CID 103921873) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-pent-4-en-2-ylhexan-3-amine.

Molecular Properties

Compound NameN-pent-4-en-2-ylhexan-3-amine
PubChem CID103921873
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-pent-4-en-2-ylhexan-3-amine
SMILESC=CCC(C)NC(CC)CCC
InChIInChI=1S/C11H23N/c1-5-8-10(4)12-11(7-3)9-6-2/h5,10-12H,1,6-9H2,2-4H3
InChIKeyMOAZQNVYZQXACN-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-pent-4-en-2-ylhexan-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-N-hexan-3-ylpropane-1,2-diamine
CID 103389738
N-butan-2-ylheptan-4-amine
CID 43190303
N-pentan-3-ylhexan-3-amine
CID 62118915
ethyl 2-(pent-4-en-2-ylamino)pentanoate
CID 115663777
3-(hex-5-en-2-ylamino)pentan-1-ol
CID 104582668
N-(1-ethoxypropan-2-yl)hexan-3-amine
CID 115888994
N-(1-ethylsulfonylpropan-2-yl)hept-6-en-3-amine
CID 115889877
N-(1-methoxypentan-2-yl)hex-5-en-2-amine
CID 104655717
1-(hept-1-en-4-ylamino)propan-2-ol
CID 4712407
methyl 3-(hexan-3-ylamino)butanoate
CID 62117257
2-N-butan-2-ylpentane-1,2-diamine
CID 65385176
3-(hept-6-en-3-ylamino)butanamide
CID 115867780

Frequently Asked Questions

What is the IUPAC name of N-pent-4-en-2-ylhexan-3-amine?
The IUPAC name of N-pent-4-en-2-ylhexan-3-amine (CID 103921873) is N-pent-4-en-2-ylhexan-3-amine.
What is the SMILES notation for N-pent-4-en-2-ylhexan-3-amine?
The canonical SMILES for N-pent-4-en-2-ylhexan-3-amine is C=CCC(C)NC(CC)CCC.
What is the InChIKey of N-pent-4-en-2-ylhexan-3-amine?
The InChIKey is MOAZQNVYZQXACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-8-10(4)12-11(7-3)9-6-2/h5,10-12H,1,6-9H2,2-4H3.
What are the key properties of N-pent-4-en-2-ylhexan-3-amine?
N-pent-4-en-2-ylhexan-3-amine has a molecular weight of 169.31 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-pent-4-en-2-ylhexan-3-amine is sourced from PubChem (CID 103921873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).