3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine

C14H28N2 — CID 142474537

IUPAC3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine
SMILESC=C(NC(/C=N/C)C(C)C)C(C)CCCC
InChIInChI=1S/C14H28N2/c1-7-8-9-12(4)13(5)16-14(10-15-6)11(2)3/h10-12,14,16H,5,7-9H2,1-4,6H3/b15-10+
InChIKeyZLXZCJZZTBABMQ-XNTDXEJSSA-N
MW224.39 g/mol
LogP3.64
Rot. Bonds8

About 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine

3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine (PubChem CID 142474537) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine
PubChem CID142474537
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine
SMILESC=C(NC(/C=N/C)C(C)C)C(C)CCCC
InChIInChI=1S/C14H28N2/c1-7-8-9-12(4)13(5)16-14(10-15-6)11(2)3/h10-12,14,16H,5,7-9H2,1-4,6H3/b15-10+
InChIKeyZLXZCJZZTBABMQ-XNTDXEJSSA-N
XLogP3.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)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 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine?
The IUPAC name of 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine (CID 142474537) is 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine?
The canonical SMILES for 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine is C=C(NC(/C=N/C)C(C)C)C(C)CCCC.
What is the InChIKey of 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine?
The InChIKey is ZLXZCJZZTBABMQ-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H28N2/c1-7-8-9-12(4)13(5)16-14(10-15-6)11(2)3/h10-12,14,16H,5,7-9H2,1-4,6H3/b15-10+.
What are the key properties of 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine?
3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine has a molecular weight of 224.39 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-methyl-1-methyliminobutan-2-yl)hept-1-en-2-amine is sourced from PubChem (CID 142474537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).