(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine

C21H35N — CID 143600462

IUPAC(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine
SMILESC=C(/C=C\C(=C)C(C)(C)C)N(C)/C(C)=C/C=C(\CC)C(C)C
InChIInChI=1S/C21H35N/c1-11-20(16(2)3)15-14-19(6)22(10)18(5)13-12-17(4)21(7,8)9/h12-16H,4-5,11H2,1-3,6-10H3/b13-12-,19-14+,20-15+
InChIKeyRHKXOIJEOHNAQS-NDUTWUSQSA-N
MW301.52 g/mol
LogP6.49
Rot. Bonds7

About (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine

(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine (PubChem CID 143600462) has the molecular formula C21H35N and a molecular weight of 301.52 g/mol. Its IUPAC name is (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine
PubChem CID143600462
Molecular FormulaC21H35N
Molecular Weight301.52 g/mol
Exact Mass301.28
IUPAC Name(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine
SMILESC=C(/C=C\C(=C)C(C)(C)C)N(C)/C(C)=C/C=C(\CC)C(C)C
InChIInChI=1S/C21H35N/c1-11-20(16(2)3)15-14-19(6)22(10)18(5)13-12-17(4)21(7,8)9/h12-16H,4-5,11H2,1-3,6-10H3/b13-12-,19-14+,20-15+
InChIKeyRHKXOIJEOHNAQS-NDUTWUSQSA-N
XLogP6.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.52
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-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 (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine?
The IUPAC name of (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine (CID 143600462) is (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine.
What is the SMILES notation for (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine?
The canonical SMILES for (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine is C=C(/C=C\C(=C)C(C)(C)C)N(C)/C(C)=C/C=C(\CC)C(C)C.
What is the InChIKey of (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine?
The InChIKey is RHKXOIJEOHNAQS-NDUTWUSQSA-N. The full InChI is InChI=1S/C21H35N/c1-11-20(16(2)3)15-14-19(6)22(10)18(5)13-12-17(4)21(7,8)9/h12-16H,4-5,11H2,1-3,6-10H3/b13-12-,19-14+,20-15+.
What are the key properties of (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine?
(2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine has a molecular weight of 301.52 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-[(3Z)-6,6-dimethyl-5-methylidenehepta-1,3-dien-2-yl]-5-ethyl-N,6-dimethylhepta-2,4-dien-2-amine is sourced from PubChem (CID 143600462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).