(3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine

C10H19N — CID 126620910

IUPAC(3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
SMILESC=C(/C=C/CC)N(C)C(C)C
InChIInChI=1S/C10H19N/c1-6-7-8-10(4)11(5)9(2)3/h7-9H,4,6H2,1-3,5H3/b8-7+
InChIKeyCGTFLAOYEJPXRS-BQYQJAHWSA-N
MW153.27 g/mol
LogP2.81
Rot. Bonds4

About (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine

(3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine (PubChem CID 126620910) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine.

Molecular Properties

Compound Name(3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
PubChem CID126620910
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
SMILESC=C(/C=C/CC)N(C)C(C)C
InChIInChI=1S/C10H19N/c1-6-7-8-10(4)11(5)9(2)3/h7-9H,4,6H2,1-3,5H3/b8-7+
InChIKeyCGTFLAOYEJPXRS-BQYQJAHWSA-N
XLogP2.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-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 (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
The IUPAC name of (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine (CID 126620910) is (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine.
What is the SMILES notation for (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
The canonical SMILES for (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine is C=C(/C=C/CC)N(C)C(C)C.
What is the InChIKey of (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
The InChIKey is CGTFLAOYEJPXRS-BQYQJAHWSA-N. The full InChI is InChI=1S/C10H19N/c1-6-7-8-10(4)11(5)9(2)3/h7-9H,4,6H2,1-3,5H3/b8-7+.
What are the key properties of (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine?
(3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine is sourced from PubChem (CID 126620910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).