(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine

C13H17N — CID 166803174

IUPAC(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine
SMILESC#C/C(=C/C=C(\C=C\C)C(=C)C)NC
InChIInChI=1S/C13H17N/c1-6-8-12(11(3)4)9-10-13(7-2)14-5/h2,6,8-10,14H,3H2,1,4-5H3/b8-6+,12-9+,13-10-
InChIKeyLKOOTAMDKPJMSG-IQCOFVSKSA-N
MW187.29 g/mol
LogP2.80
Rot. Bonds4

About (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine

(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine (PubChem CID 166803174) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine.

Molecular Properties

Compound Name(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine
PubChem CID166803174
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine
SMILESC#C/C(=C/C=C(\C=C\C)C(=C)C)NC
InChIInChI=1S/C13H17N/c1-6-8-12(11(3)4)9-10-13(7-2)14-5/h2,6,8-10,14H,3H2,1,4-5H3/b8-6+,12-9+,13-10-
InChIKeyLKOOTAMDKPJMSG-IQCOFVSKSA-N
XLogP2.80
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3Z,5E)-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 142147647
(3Z,4Z)-3-ethylidene-2-methylhexa-1,4-diene
CID 142964222
3-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 123815278
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889
(3E)-N,6-dimethyl-5-methylidene-3-[(Z)-prop-1-enyl]hepta-1,3-dien-2-amine
CID 134267284
methane;(2Z,4E,6E,8E)-5-prop-1-en-2-yldeca-2,4,6,8-tetraene
CID 163241404
(3E,5E)-N,3,6,7-tetramethylocta-1,3,5,7-tetraen-2-amine
CID 143363501
(3Z)-N-prop-2-ynylpenta-1,3-dien-2-amine
CID 155328555
N-methyl-2-methylidenepent-3-enamide
CID 123693857
(Z,3E)-3-(methylaminomethylidene)hex-4-en-2-one
CID 174339703
(2Z,4Z,6Z)-4-N,5-N-dimethylocta-2,4,6-triene-4,5-diamine
CID 170199054
ethane;(3Z)-2-methylpenta-1,3-diene
CID 142023424

Frequently Asked Questions

What is the IUPAC name of (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine?
The IUPAC name of (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine (CID 166803174) is (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine.
What is the SMILES notation for (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine?
The canonical SMILES for (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine is C#C/C(=C/C=C(\C=C\C)C(=C)C)NC.
What is the InChIKey of (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine?
The InChIKey is LKOOTAMDKPJMSG-IQCOFVSKSA-N. The full InChI is InChI=1S/C13H17N/c1-6-8-12(11(3)4)9-10-13(7-2)14-5/h2,6,8-10,14H,3H2,1,4-5H3/b8-6+,12-9+,13-10-.
What are the key properties of (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine?
(3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine has a molecular weight of 187.29 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E,7E)-N-methyl-6-prop-1-en-2-ylnona-3,5,7-trien-1-yn-3-amine is sourced from PubChem (CID 166803174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).