3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine

C11H19N — CID 123757982

IUPAC3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
SMILESC=C(C)C=CC(=CC)C(C)NC
InChIInChI=1S/C11H19N/c1-6-11(10(4)12-5)8-7-9(2)3/h6-8,10,12H,2H2,1,3-5H3
InChIKeyRCBRRMZCTPXXBN-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.67
Rot. Bonds4

About 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine

3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine (PubChem CID 123757982) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine.

Molecular Properties

Compound Name3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
PubChem CID123757982
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine
SMILESC=C(C)C=CC(=CC)C(C)NC
InChIInChI=1S/C11H19N/c1-6-11(10(4)12-5)8-7-9(2)3/h6-8,10,12H,2H2,1,3-5H3
InChIKeyRCBRRMZCTPXXBN-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-ethylidene-N,6-dimethylhepta-4,6-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

Related Compounds

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936
2,6-Diallyl-4-vinyl-1,2,3,6-tetrahydro-pyridine
CID 3143282
(2S,6R)-2,6-bis(2-methylprop-2-enyl)-1,2,5,6-tetrahydropyridine
CID 7175881
1-Cyclohexa-1,5-dien-1-ylethanamine
CID 91106318

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine?
The IUPAC name of 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine (CID 123757982) is 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine.
What is the SMILES notation for 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine?
The canonical SMILES for 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine is C=C(C)C=CC(=CC)C(C)NC.
What is the InChIKey of 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine?
The InChIKey is RCBRRMZCTPXXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-6-11(10(4)12-5)8-7-9(2)3/h6-8,10,12H,2H2,1,3-5H3.
What are the key properties of 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine?
3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine has a molecular weight of 165.28 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-N,6-dimethylhepta-4,6-dien-2-amine is sourced from PubChem (CID 123757982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).