(3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine

C11H19N — CID 89243742

IUPAC(3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/C)CN(C)CC
InChIInChI=1S/C11H19N/c1-5-7-8-9-11(3)10-12(4)6-2/h5,7-9H,3,6,10H2,1-2,4H3/b7-5-,9-8-
InChIKeyTXJUXPZKXFHPTG-PJHABFGRSA-N
MW165.28 g/mol
LogP2.63
Rot. Bonds5

About (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine

(3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine (PubChem CID 89243742) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine
PubChem CID89243742
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name(3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine
SMILESC=C(/C=C\C=C/C)CN(C)CC
InChIInChI=1S/C11H19N/c1-5-7-8-9-11(3)10-12(4)6-2/h5,7-9H,3,6,10H2,1-2,4H3/b7-5-,9-8-
InChIKeyTXJUXPZKXFHPTG-PJHABFGRSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-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

Related Compounds

1-Methyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 10036134
Ferrocene, ((dimethylamino)methyl)-
CID 16211226
1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
N,N-Diethyl-2-methylidenebut-3-en-1-amine
CID 14644961
o-Lithiodimethylbenzylamine
CID 10866427
2,6-Bis(dimethylaminomethyl)phenyllithium
CID 11830389
N,N-dimethylamino-4-methyl-pentene-3
CID 12545385
2-Methylidene-N,N-dipropylbut-3-en-1-amine
CID 18512648
2-Diethylaminomethylphenyllithium
CID 21399648
1,3,5-Collidin
CID 22046103
2-[(Diethylamino)methyl]phenylmagnesium bromide, 0.25M in THF
CID 57533218
N-(2,7-dimethyl-2,7-octadienyl)-N,N-diethylamine
CID 85997288

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The IUPAC name of (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine (CID 89243742) is (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine.
What is the SMILES notation for (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The canonical SMILES for (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine is C=C(/C=C\C=C/C)CN(C)CC.
What is the InChIKey of (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
The InChIKey is TXJUXPZKXFHPTG-PJHABFGRSA-N. The full InChI is InChI=1S/C11H19N/c1-5-7-8-9-11(3)10-12(4)6-2/h5,7-9H,3,6,10H2,1-2,4H3/b7-5-,9-8-.
What are the key properties of (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine?
(3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine has a molecular weight of 165.28 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-ethyl-N-methyl-2-methylidenehepta-3,5-dien-1-amine is sourced from PubChem (CID 89243742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).