(2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile

C24H42N2 — CID 145083956

IUPAC(2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile
SMILESC=C(C)C(=C)/C=C\C(C)=C(/C)N(CC)[C@](C)(CC)CCC.CC(C)C#N
InChIInChI=1S/C20H35N.C4H7N/c1-10-15-20(9,11-2)21(12-3)19(8)18(7)14-13-17(6)16(4)5;1-4(2)3-5/h13-14H,4,6,10-12,15H2,1-3,5,7-9H3;4H,1-2H3/b14-13-,19-18+;/t20-;/m1./s1
InChIKeyDMGZBKRGQIRSLU-NOIVUDRQSA-N
MW358.61 g/mol
LogP7.43
Rot. Bonds9

About (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile

(2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile (PubChem CID 145083956) has the molecular formula C24H42N2 and a molecular weight of 358.61 g/mol. Its IUPAC name is (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile.

Molecular Properties

Compound Name(2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile
PubChem CID145083956
Molecular FormulaC24H42N2
Molecular Weight358.61 g/mol
Exact Mass358.33
IUPAC Name(2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile
SMILESC=C(C)C(=C)/C=C\C(C)=C(/C)N(CC)[C@](C)(CC)CCC.CC(C)C#N
InChIInChI=1S/C20H35N.C4H7N/c1-10-15-20(9,11-2)21(12-3)19(8)18(7)14-13-17(6)16(4)5;1-4(2)3-5/h13-14H,4,6,10-12,15H2,1-3,5,7-9H3;4H,1-2H3/b14-13-,19-18+;/t20-;/m1./s1
InChIKeyDMGZBKRGQIRSLU-NOIVUDRQSA-N
XLogP7.43
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.61
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile 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,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile?
The IUPAC name of (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile (CID 145083956) is (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile.
What is the SMILES notation for (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile?
The canonical SMILES for (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile is C=C(C)C(=C)/C=C\C(C)=C(/C)N(CC)[C@](C)(CC)CCC.CC(C)C#N.
What is the InChIKey of (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile?
The InChIKey is DMGZBKRGQIRSLU-NOIVUDRQSA-N. The full InChI is InChI=1S/C20H35N.C4H7N/c1-10-15-20(9,11-2)21(12-3)19(8)18(7)14-13-17(6)16(4)5;1-4(2)3-5/h13-14H,4,6,10-12,15H2,1-3,5,7-9H3;4H,1-2H3/b14-13-,19-18+;/t20-;/m1./s1.
What are the key properties of (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile?
(2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile has a molecular weight of 358.61 g/mol, XLogP of 7.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-N-ethyl-3,7-dimethyl-N-[(3R)-3-methylhexan-3-yl]-6-methylideneocta-2,4,7-trien-2-amine;2-methylpropanenitrile is sourced from PubChem (CID 145083956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).