(E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine

C9H21N3 — CID 167146878

IUPAC(E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine
SMILESCNN(C)CC/C=C(\C)C(C)N
InChIInChI=1S/C9H21N3/c1-8(9(2)10)6-5-7-12(4)11-3/h6,9,11H,5,7,10H2,1-4H3/b8-6+
InChIKeyFZHNVPLAKHIVIH-SOFGYWHQSA-N
MW171.29 g/mol
LogP0.74
Rot. Bonds5

About (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine

(E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine (PubChem CID 167146878) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine
PubChem CID167146878
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name(E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine
SMILESCNN(C)CC/C=C(\C)C(C)N
InChIInChI=1S/C9H21N3/c1-8(9(2)10)6-5-7-12(4)11-3/h6,9,11H,5,7,10H2,1-4H3/b8-6+
InChIKeyFZHNVPLAKHIVIH-SOFGYWHQSA-N
XLogP0.74
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-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 (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine?
The IUPAC name of (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine (CID 167146878) is (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine.
What is the SMILES notation for (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine?
The canonical SMILES for (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine is CNN(C)CC/C=C(\C)C(C)N.
What is the InChIKey of (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine?
The InChIKey is FZHNVPLAKHIVIH-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H21N3/c1-8(9(2)10)6-5-7-12(4)11-3/h6,9,11H,5,7,10H2,1-4H3/b8-6+.
What are the key properties of (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine?
(E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine has a molecular weight of 171.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-6-[methyl(methylamino)amino]hex-3-en-2-amine is sourced from PubChem (CID 167146878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).