(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine

C25H46N2 — CID 167385062

IUPAC(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine
SMILESCC/C=C/C(C)(C)CCC(C)(C)/C=C/CN/C=C/CN/C=C/CC(C)(C)C
InChIInChI=1S/C25H46N2/c1-9-10-15-24(5,6)17-18-25(7,8)16-12-20-27-22-13-21-26-19-11-14-23(2,3)4/h10-13,15-16,19,22,26-27H,9,14,17-18,20-21H2,1-8H3/b15-10+,16-12+,19-11+,22-13+
InChIKeySOKWLGHQJXUWGE-XPMOHYHLSA-N
MW374.66 g/mol
LogP6.98
Rot. Bonds13

About (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine

(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine (PubChem CID 167385062) has the molecular formula C25H46N2 and a molecular weight of 374.66 g/mol. Its IUPAC name is (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine.

Molecular Properties

Compound Name(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine
PubChem CID167385062
Molecular FormulaC25H46N2
Molecular Weight374.66 g/mol
Exact Mass374.37
IUPAC Name(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine
SMILESCC/C=C/C(C)(C)CCC(C)(C)/C=C/CN/C=C/CN/C=C/CC(C)(C)C
InChIInChI=1S/C25H46N2/c1-9-10-15-24(5,6)17-18-25(7,8)16-12-20-27-22-13-21-26-19-11-14-23(2,3)4/h10-13,15-16,19,22,26-27H,9,14,17-18,20-21H2,1-8H3/b15-10+,16-12+,19-11+,22-13+
InChIKeySOKWLGHQJXUWGE-XPMOHYHLSA-N
XLogP6.98
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.66
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine 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

4,4-dimethyloct-5-enal
CID 544189
(E)-N-(2,2-dimethylpropyl)-2,2,5,5,9,9-hexamethyldec-6-en-1-amine
CID 170289549
(3Z,6Z,9Z)-12,12-dimethyltrideca-3,6,9-triene
CID 158835556
(1E,4E)-N,3,3-trimethylhepta-1,4-dien-1-amine
CID 155307327
(E)-2-(methylamino)hex-3-en-2-ol
CID 152934971
(E)-2,2-dimethylhex-3-ene
CID 5357261
2,2,6-trimethyloct-4-ene
CID 91281227
(4Z,7Z)-2,2,10,10-tetramethylundeca-4,7-diene
CID 176844045
(5E)-4-tert-butyl-4-methylocta-1,5-diene
CID 22133460
(Z)-2-hydroxy-2-methylhex-3-enamide
CID 146609859
CID 162303422
CID 162303422
5-but-1-enyl-5-prop-2-enylnona-3,6-diene
CID 173069698

Frequently Asked Questions

What is the IUPAC name of (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine?
The IUPAC name of (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine (CID 167385062) is (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine.
What is the SMILES notation for (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine?
The canonical SMILES for (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine is CC/C=C/C(C)(C)CCC(C)(C)/C=C/CN/C=C/CN/C=C/CC(C)(C)C.
What is the InChIKey of (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine?
The InChIKey is SOKWLGHQJXUWGE-XPMOHYHLSA-N. The full InChI is InChI=1S/C25H46N2/c1-9-10-15-24(5,6)17-18-25(7,8)16-12-20-27-22-13-21-26-19-11-14-23(2,3)4/h10-13,15-16,19,22,26-27H,9,14,17-18,20-21H2,1-8H3/b15-10+,16-12+,19-11+,22-13+.
What are the key properties of (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine?
(E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine has a molecular weight of 374.66 g/mol, XLogP of 6.98, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N'-[(E)-4,4-dimethylpent-1-enyl]-N-[(2E,8E)-4,4,7,7-tetramethylundeca-2,8-dienyl]prop-1-ene-1,3-diamine is sourced from PubChem (CID 167385062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).