(3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine

C24H39NS — CID 134568403

IUPAC(3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine
SMILESC=C/C=C/C(=C)NC(C)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H39NS/c1-8-9-16-23(6)25-24(7)19-26-18-17-22(5)15-11-14-21(4)13-10-12-20(2)3/h8-9,12,14,16-17,24-25H,1,6,10-11,13,15,18-19H2,2-5,7H3/b16-9+,21-14+,22-17+
InChIKeySRWYIXUKOFYVIH-GVFRPWJDSA-N
MW373.65 g/mol
LogP7.37
Rot. Bonds14

About (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine

(3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine (PubChem CID 134568403) has the molecular formula C24H39NS and a molecular weight of 373.65 g/mol. Its IUPAC name is (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine.

Molecular Properties

Compound Name(3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine
PubChem CID134568403
Molecular FormulaC24H39NS
Molecular Weight373.65 g/mol
Exact Mass373.28
IUPAC Name(3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine
SMILESC=C/C=C/C(=C)NC(C)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C24H39NS/c1-8-9-16-23(6)25-24(7)19-26-18-17-22(5)15-11-14-21(4)13-10-12-20(2)3/h8-9,12,14,16-17,24-25H,1,6,10-11,13,15,18-19H2,2-5,7H3/b16-9+,21-14+,22-17+
InChIKeySRWYIXUKOFYVIH-GVFRPWJDSA-N
XLogP7.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine?
The IUPAC name of (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine (CID 134568403) is (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine.
What is the SMILES notation for (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine?
The canonical SMILES for (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine is C=C/C=C/C(=C)NC(C)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine?
The InChIKey is SRWYIXUKOFYVIH-GVFRPWJDSA-N. The full InChI is InChI=1S/C24H39NS/c1-8-9-16-23(6)25-24(7)19-26-18-17-22(5)15-11-14-21(4)13-10-12-20(2)3/h8-9,12,14,16-17,24-25H,1,6,10-11,13,15,18-19H2,2-5,7H3/b16-9+,21-14+,22-17+.
What are the key properties of (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine?
(3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine has a molecular weight of 373.65 g/mol, XLogP of 7.37, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]hexa-1,3,5-trien-2-amine is sourced from PubChem (CID 134568403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).