5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine

C25H44N4S — CID 134568436

IUPAC5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine
SMILESC=CC(CSC/C=C(/CC/C=C(\C)CCC=C(C)C)NNC)NC(=C)CCC(=C)N
InChIInChI=1S/C25H44N4S/c1-8-24(28-23(6)16-15-22(5)26)19-30-18-17-25(29-27-7)14-10-13-21(4)12-9-11-20(2)3/h8,11,13,17,24,27-29H,1,5-6,9-10,12,14-16,18-19,26H2,2-4,7H3/b21-13+,25-17-
InChIKeyARRYHMQPJNJMBZ-IWGNHRMASA-N
MW432.72 g/mol
LogP5.71
Rot. Bonds18

About 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine

5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine (PubChem CID 134568436) has the molecular formula C25H44N4S and a molecular weight of 432.72 g/mol. Its IUPAC name is 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine.

Molecular Properties

Compound Name5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine
PubChem CID134568436
Molecular FormulaC25H44N4S
Molecular Weight432.72 g/mol
Exact Mass432.33
IUPAC Name5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine
SMILESC=CC(CSC/C=C(/CC/C=C(\C)CCC=C(C)C)NNC)NC(=C)CCC(=C)N
InChIInChI=1S/C25H44N4S/c1-8-24(28-23(6)16-15-22(5)26)19-30-18-17-25(29-27-7)14-10-13-21(4)12-9-11-20(2)3/h8,11,13,17,24,27-29H,1,5-6,9-10,12,14-16,18-19,26H2,2-4,7H3/b21-13+,25-17-
InChIKeyARRYHMQPJNJMBZ-IWGNHRMASA-N
XLogP5.71
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.72
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[1-[(2Z,6E)-3-(2-ethenylhydrazinyl)-7,11-dimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]-3-methylhexa-1,5-dien-2-amine
CID 134568326
(4S)-3-N-tert-butyl-2-N-[(7Z)-7-[(3E)-4,8-dimethylnona-3,7-dienyl]-4-methylidene-3,5,6,9-tetrahydro-2H-1,5,6-thiadiazonin-3-yl]-4-methylhex-1-ene-2,3-diamine
CID 134568377
N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-dien-2-amine
CID 146358971
3-methyl-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-dien-2-amine
CID 146358981
3-N-ethenyl-2-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]pent-1-ene-2,3-diamine
CID 146359007
4-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]-1-N-prop-1-en-2-ylpent-4-ene-1,4-diamine
CID 146359030
1-N-ethenyl-4-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]pent-4-ene-1,4-diamine
CID 146359034
1-[(2Z,6E)-7,11-dimethyl-1-(2-methylpropylsulfanyl)dodeca-2,6,10-trien-3-yl]-2-ethenylhydrazine
CID 143996660

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine?
The IUPAC name of 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine (CID 134568436) is 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine.
What is the SMILES notation for 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine?
The canonical SMILES for 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine is C=CC(CSC/C=C(/CC/C=C(\C)CCC=C(C)C)NNC)NC(=C)CCC(=C)N.
What is the InChIKey of 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine?
The InChIKey is ARRYHMQPJNJMBZ-IWGNHRMASA-N. The full InChI is InChI=1S/C25H44N4S/c1-8-24(28-23(6)16-15-22(5)26)19-30-18-17-25(29-27-7)14-10-13-21(4)12-9-11-20(2)3/h8,11,13,17,24,27-29H,1,5-6,9-10,12,14-16,18-19,26H2,2-4,7H3/b21-13+,25-17-.
What are the key properties of 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine?
5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine has a molecular weight of 432.72 g/mol, XLogP of 5.71, 18 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-[(2Z,6E)-7,11-dimethyl-3-(2-methylhydrazinyl)dodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,5-diene-2,5-diamine is sourced from PubChem (CID 134568436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).