(Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine

C13H21N — CID 118973877

IUPAC(Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine
SMILESC=C(/C=C\C)CCN(C)C(=C)/C=C\C
InChIInChI=1S/C13H21N/c1-6-8-12(3)10-11-14(5)13(4)9-7-2/h6-9H,3-4,10-11H2,1-2,5H3/b8-6-,9-7-
InChIKeyPGFPQJTYZUQQAJ-VRHVFUOLSA-N
MW191.32 g/mol
LogP3.53
Rot. Bonds6

About (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine

(Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine (PubChem CID 118973877) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine
PubChem CID118973877
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine
SMILESC=C(/C=C\C)CCN(C)C(=C)/C=C\C
InChIInChI=1S/C13H21N/c1-6-8-12(3)10-11-14(5)13(4)9-7-2/h6-9H,3-4,10-11H2,1-2,5H3/b8-6-,9-7-
InChIKeyPGFPQJTYZUQQAJ-VRHVFUOLSA-N
XLogP3.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-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 (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine?
The IUPAC name of (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine (CID 118973877) is (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine.
What is the SMILES notation for (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine?
The canonical SMILES for (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine is C=C(/C=C\C)CCN(C)C(=C)/C=C\C.
What is the InChIKey of (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine?
The InChIKey is PGFPQJTYZUQQAJ-VRHVFUOLSA-N. The full InChI is InChI=1S/C13H21N/c1-6-8-12(3)10-11-14(5)13(4)9-7-2/h6-9H,3-4,10-11H2,1-2,5H3/b8-6-,9-7-.
What are the key properties of (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine?
(Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine has a molecular weight of 191.32 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-3-methylidene-N-[(3Z)-penta-1,3-dien-2-yl]hex-4-en-1-amine is sourced from PubChem (CID 118973877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).