5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine

C15H27NS — CID 144667383

IUPAC5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine
SMILESC=C(CCC(C)C(=C)C)NC(CSC)C(=C)C
InChIInChI=1S/C15H27NS/c1-11(2)13(5)8-9-14(6)16-15(10-17-7)12(3)4/h13,15-16H,1,3,6,8-10H2,2,4-5,7H3
InChIKeyAUSJSCBWZWLIRN-UHFFFAOYSA-N
MW253.45 g/mol
LogP4.39
Rot. Bonds9

About 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine

5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine (PubChem CID 144667383) has the molecular formula C15H27NS and a molecular weight of 253.45 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine
PubChem CID144667383
Molecular FormulaC15H27NS
Molecular Weight253.45 g/mol
Exact Mass253.19
IUPAC Name5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine
SMILESC=C(CCC(C)C(=C)C)NC(CSC)C(=C)C
InChIInChI=1S/C15H27NS/c1-11(2)13(5)8-9-14(6)16-15(10-17-7)12(3)4/h13,15-16H,1,3,6,8-10H2,2,4-5,7H3
InChIKeyAUSJSCBWZWLIRN-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.45
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-Methylidene-6-(2-methylpropyl)-1,4-thiazepane
CID 54444296
2-methyl-N,2-dipropyl-3H-thiophen-3-amine
CID 57027759
N-ethyl-2-methyl-2-propyl-3H-thiophen-3-amine
CID 57262193
(3S)-N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 88936056
(3S)-2-methyl-5-methylsulfanyl-N-prop-1-en-2-ylpent-1-en-3-amine
CID 88942821
(3S)-N-ethyl-4-methylidene-1-methylsulfanylheptan-3-amine
CID 89354545
(3S)-2-methyl-5-methylsulfanyl-N-pentylpent-1-en-3-amine
CID 89733499
(3S)-N-ethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 89976814
3-methyl-N-[(E)-1-methylsulfanylbut-1-en-2-yl]pentan-2-amine
CID 118613530
N,5-dimethyl-4-methylidene-1-methylsulfanylhexan-3-amine
CID 121420026
N-(5-methylhexyl)-7-methylsulfinothioylhept-1-en-2-amine
CID 134313945
6-methyl-N-(2-propan-2-ylsulfanylethyl)hept-1-en-2-amine
CID 134398164

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine?
The IUPAC name of 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine (CID 144667383) is 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine?
The canonical SMILES for 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine is C=C(CCC(C)C(=C)C)NC(CSC)C(=C)C.
What is the InChIKey of 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine?
The InChIKey is AUSJSCBWZWLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NS/c1-11(2)13(5)8-9-14(6)16-15(10-17-7)12(3)4/h13,15-16H,1,3,6,8-10H2,2,4-5,7H3.
What are the key properties of 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine?
5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine has a molecular weight of 253.45 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3-methyl-1-methylsulfanylbut-3-en-2-yl)hepta-1,6-dien-2-amine is sourced from PubChem (CID 144667383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).