6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine

C13H27NS — CID 115721945

IUPAC6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine
SMILESCSCCC(C)NC(C)CCC=C(C)C
InChIInChI=1S/C13H27NS/c1-11(2)7-6-8-12(3)14-13(4)9-10-15-5/h7,12-14H,6,8-10H2,1-5H3
InChIKeyZVTWPYAKZJCODE-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.85
Rot. Bonds8

About 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine

6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine (PubChem CID 115721945) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine.

Molecular Properties

Compound Name6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine
PubChem CID115721945
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC Name6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine
SMILESCSCCC(C)NC(C)CCC=C(C)C
InChIInChI=1S/C13H27NS/c1-11(2)7-6-8-12(3)14-13(4)9-10-15-5/h7,12-14H,6,8-10H2,1-5H3
InChIKeyZVTWPYAKZJCODE-UHFFFAOYSA-N
XLogP3.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine with MolForge

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Launch Full Analysis

Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
2-fluoro-N,3,5-trimethyl-7,8-bis(methylsulfanyl)oct-4-en-1-amine
CID 123337384
3-[(2R)-2-methyl-2,3-dihydrothiophen-5-yl]-N-propylpropan-1-amine
CID 68344038
2-(4-Methylpent-3-en-1-yl)-1,3-thiazolidine
CID 71365936
(3S)-N,2-dimethyl-5-methylsulfanylpent-1-en-3-amine
CID 87501099
(3S)-N-ethyl-2-methyl-5-methylsulfanylpent-1-en-3-amine
CID 88539134
(3S)-N-methyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88543586
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
(3S)-N-ethyl-5-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 89215267
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986
(3S)-N-ethyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 89354545

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine?
The IUPAC name of 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine (CID 115721945) is 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine.
What is the SMILES notation for 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine?
The canonical SMILES for 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine is CSCCC(C)NC(C)CCC=C(C)C.
What is the InChIKey of 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine?
The InChIKey is ZVTWPYAKZJCODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-11(2)7-6-8-12(3)14-13(4)9-10-15-5/h7,12-14H,6,8-10H2,1-5H3.
What are the key properties of 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine?
6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine has a molecular weight of 229.43 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(4-methylsulfanylbutan-2-yl)hept-5-en-2-amine is sourced from PubChem (CID 115721945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).