N-methyloct-7-en-2-amine

C9H19N — CID 64502847

IUPACN-methyloct-7-en-2-amine
SMILESC=CCCCCC(C)NC
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyLUUGZKAIZJQVCG-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.34
Rot. Bonds6

About N-methyloct-7-en-2-amine

N-methyloct-7-en-2-amine (PubChem CID 64502847) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is N-methyloct-7-en-2-amine.

Molecular Properties

Compound NameN-methyloct-7-en-2-amine
PubChem CID64502847
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC NameN-methyloct-7-en-2-amine
SMILESC=CCCCCC(C)NC
InChIInChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyLUUGZKAIZJQVCG-UHFFFAOYSA-N
XLogP2.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.34
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-methyloct-7-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-methyloct-7-en-2-amine?
The IUPAC name of N-methyloct-7-en-2-amine (CID 64502847) is N-methyloct-7-en-2-amine.
What is the SMILES notation for N-methyloct-7-en-2-amine?
The canonical SMILES for N-methyloct-7-en-2-amine is C=CCCCCC(C)NC.
What is the InChIKey of N-methyloct-7-en-2-amine?
The InChIKey is LUUGZKAIZJQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-7-8-9(2)10-3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of N-methyloct-7-en-2-amine?
N-methyloct-7-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyloct-7-en-2-amine is sourced from PubChem (CID 64502847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).