(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine

C14H26N2S — CID 142083730

IUPAC(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
SMILESCCNC(=C\SC)/C=C(\C)C(N)CC=C(C)C
InChIInChI=1S/C14H26N2S/c1-6-16-13(10-17-5)9-12(4)14(15)8-7-11(2)3/h7,9-10,14,16H,6,8,15H2,1-5H3/b12-9+,13-10-
InChIKeyDRAOGYWADFOEQJ-FMYPVGJQSA-N
MW254.44 g/mol
LogP3.43
Rot. Bonds7

About (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine

(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine (PubChem CID 142083730) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
PubChem CID142083730
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
SMILESCCNC(=C\SC)/C=C(\C)C(N)CC=C(C)C
InChIInChI=1S/C14H26N2S/c1-6-16-13(10-17-5)9-12(4)14(15)8-7-11(2)3/h7,9-10,14,16H,6,8,15H2,1-5H3/b12-9+,13-10-
InChIKeyDRAOGYWADFOEQJ-FMYPVGJQSA-N
XLogP3.43
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine with MolForge

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Related Compounds

2-methyl-4-[(1E,3S,5Z)-2,3,6-trimethylocta-1,5-dienyl]-2,3-dihydro-1,3-thiazole
CID 59084386
(4S,6Z,8E)-4-amino-8-(propylamino)deca-6,8-diene-3-thiol
CID 88578742
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986
(2S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propyl-1,2-dihydropyrrole
CID 118401251
(Z,4E)-4-ethylidene-6-(methylamino)hept-5-ene-3-thiol
CID 126728007
(Z)-1-(2,6-dimethyl-1,2-dihydropyridin-4-yl)but-1-ene-1-thiol
CID 126728026
5-methyl-N-propan-2-ylcyclohexa-1,5-dien-1-amine
CID 129082438
(3Z,5E)-5-(propan-2-ylamino)hepta-3,5-diene-2-thiol
CID 131981081
2-Amino-3-[4-(prop-1-en-2-ylamino)cyclohexa-1,5-dien-1-yl]pentane-1-thiol
CID 134316559
(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
(3E)-N-[3-methyl-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbut-3-en-2-yl]hexa-1,3,5-trien-2-amine
CID 134568442
(4Z,6Z)-5-N,4-bis(ethenyl)-3-methylidene-1-methylsulfanylocta-4,6-diene-1,5-diamine
CID 139563718

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
The IUPAC name of (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine (CID 142083730) is (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine.
What is the SMILES notation for (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
The canonical SMILES for (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine is CCNC(=C\SC)/C=C(\C)C(N)CC=C(C)C.
What is the InChIKey of (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
The InChIKey is DRAOGYWADFOEQJ-FMYPVGJQSA-N. The full InChI is InChI=1S/C14H26N2S/c1-6-16-13(10-17-5)9-12(4)14(15)8-7-11(2)3/h7,9-10,14,16H,6,8,15H2,1-5H3/b12-9+,13-10-.
What are the key properties of (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine has a molecular weight of 254.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine is sourced from PubChem (CID 142083730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).