2-methyl-N-propylhex-5-en-1-amine

C10H21N — CID 64664558

IUPAC2-methyl-N-propylhex-5-en-1-amine
SMILESC=CCCC(C)CNCCC
InChIInChI=1S/C10H21N/c1-4-6-7-10(3)9-11-8-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeySBKUKSJYQGPSJH-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.59
Rot. Bonds7

About 2-methyl-N-propylhex-5-en-1-amine

2-methyl-N-propylhex-5-en-1-amine (PubChem CID 64664558) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2-methyl-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name2-methyl-N-propylhex-5-en-1-amine
PubChem CID64664558
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2-methyl-N-propylhex-5-en-1-amine
SMILESC=CCCC(C)CNCCC
InChIInChI=1S/C10H21N/c1-4-6-7-10(3)9-11-8-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeySBKUKSJYQGPSJH-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.59
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 2-methyl-N-propylhex-5-en-1-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 2-methyl-N-propylhex-5-en-1-amine?
The IUPAC name of 2-methyl-N-propylhex-5-en-1-amine (CID 64664558) is 2-methyl-N-propylhex-5-en-1-amine.
What is the SMILES notation for 2-methyl-N-propylhex-5-en-1-amine?
The canonical SMILES for 2-methyl-N-propylhex-5-en-1-amine is C=CCCC(C)CNCCC.
What is the InChIKey of 2-methyl-N-propylhex-5-en-1-amine?
The InChIKey is SBKUKSJYQGPSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N/c1-4-6-7-10(3)9-11-8-5-2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 2-methyl-N-propylhex-5-en-1-amine?
2-methyl-N-propylhex-5-en-1-amine has a molecular weight of 155.28 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propylhex-5-en-1-amine is sourced from PubChem (CID 64664558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).