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

C16H32N2S — CID 142083729

IUPACethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
SMILESCC.CCNC(=C\SC)/C=C(\C)C(N)CC=C(C)C
InChIInChI=1S/C14H26N2S.C2H6/c1-6-16-13(10-17-5)9-12(4)14(15)8-7-11(2)3;1-2/h7,9-10,14,16H,6,8,15H2,1-5H3;1-2H3/b12-9+,13-10-;
InChIKeyPAYUJQUWQOMOBR-NFXVLDNISA-N
MW284.51 g/mol
LogP4.46
Rot. Bonds7

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

ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine (PubChem CID 142083729) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine.

Molecular Properties

Compound Nameethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
PubChem CID142083729
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Nameethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine
SMILESCC.CCNC(=C\SC)/C=C(\C)C(N)CC=C(C)C
InChIInChI=1S/C14H26N2S.C2H6/c1-6-16-13(10-17-5)9-12(4)14(15)8-7-11(2)3;1-2/h7,9-10,14,16H,6,8,15H2,1-5H3;1-2H3/b12-9+,13-10-;
InChIKeyPAYUJQUWQOMOBR-NFXVLDNISA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.46
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 ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-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

(3E)-5,5,5-trifluoro-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]penta-1,3-dien-2-amine
CID 134568458
(3E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4,8-dimethylnona-1,3,7-trien-2-amine
CID 88928143
(3Z)-N-[(2Z)-3,7-dimethylocta-2,6-dienyl]-4,8-dimethylnona-1,3,7-trien-2-amine
CID 88928199
(2S)-3-methylidene-2-(2-methylsulfanylethyl)-5-propyl-1,2-dihydropyrrole
CID 118401251
(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
1-N-prop-1-en-2-yl-3-N-[1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpropan-2-yl]but-3-ene-1,3-diamine
CID 134568496
(3Z,5E,8Z)-6,8-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]-N-prop-1-en-2-ylundeca-3,5,8-trien-2-amine
CID 139468997
ethane;(2E,6Z)-N-ethyl-4,5-dimethylideneocta-2,6-dien-2-amine;N-ethylsulfanylcyclohexanamine
CID 143796788
(2E,4E)-5,6-dimethyl-N-[(E)-1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylprop-1-en-2-yl]hepta-2,4,6-trien-3-amine;prop-1-ene
CID 143996586
ethane;(2E,5Z)-1-N-(2-ethylsulfanylethyl)-7-methyl-6-N-prop-2-enylocta-2,5,7-triene-1,6-diamine
CID 145617775
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

Frequently Asked Questions

What is the IUPAC name of ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
The IUPAC name of ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine (CID 142083729) is ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine.
What is the SMILES notation for ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
The canonical SMILES for ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine is CC.CCNC(=C\SC)/C=C(\C)C(N)CC=C(C)C.
What is the InChIKey of ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
The InChIKey is PAYUJQUWQOMOBR-NFXVLDNISA-N. The full InChI is InChI=1S/C14H26N2S.C2H6/c1-6-16-13(10-17-5)9-12(4)14(15)8-7-11(2)3;1-2/h7,9-10,14,16H,6,8,15H2,1-5H3;1-2H3/b12-9+,13-10-;.
What are the key properties of ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine?
ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine has a molecular weight of 284.51 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1Z,3E)-2-N-ethyl-4,8-dimethyl-1-methylsulfanylnona-1,3,7-triene-2,5-diamine is sourced from PubChem (CID 142083729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).