5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine

C11H23NS — CID 105163266

IUPAC5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCSC
InChIInChI=1S/C11H23NS/c1-5-7-12-11(6-8-13-4)9-10(2)3/h9,11-12H,5-8H2,1-4H3
InChIKeyOEUCNCDGWLPYKV-UHFFFAOYSA-N
MW201.38 g/mol
LogP3.07
Rot. Bonds7

About 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine

5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine (PubChem CID 105163266) has the molecular formula C11H23NS and a molecular weight of 201.38 g/mol. Its IUPAC name is 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine.

Molecular Properties

Compound Name5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine
PubChem CID105163266
Molecular FormulaC11H23NS
Molecular Weight201.38 g/mol
Exact Mass201.16
IUPAC Name5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine
SMILESCCCNC(C=C(C)C)CCSC
InChIInChI=1S/C11H23NS/c1-5-7-12-11(6-8-13-4)9-10(2)3/h9,11-12H,5-8H2,1-4H3
InChIKeyOEUCNCDGWLPYKV-UHFFFAOYSA-N
XLogP3.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-Methylbut-2-enyl)-5-methylidene-1,4-thiazepane
CID 54024792
N,3-dimethyl-1-propan-2-ylsulfanylbut-3-en-2-amine
CID 79179493
(3S)-N-methyl-4-methylidene-1-methylsulfanylhex-5-en-3-amine
CID 87280201
(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
N-ethyl-5-methylsulfanylpent-1-en-3-amine
CID 88563800
(3S)-N-methyl-4-methylidene-1-methylsulfanylhepta-5,6-dien-3-amine
CID 88985534
5,6-Dimethyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010968
(6R)-5-ethenyl-6-methyl-4-methylsulfanyl-1,2,3,6-tetrahydropyridine
CID 89010970
(3S)-2-methyl-5-methylsulfanyl-N-[(2R)-pentan-2-yl]pent-1-en-3-amine
CID 89062407
5-methylsulfanyl-N-propylpent-1-en-3-amine
CID 89229161
(3E,5E)-3,6-dimethyl-N-(2-methylsulfanylpropyl)octa-3,5-dien-2-amine
CID 89291986

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine?
The IUPAC name of 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine (CID 105163266) is 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine.
What is the SMILES notation for 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine?
The canonical SMILES for 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine is CCCNC(C=C(C)C)CCSC.
What is the InChIKey of 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine?
The InChIKey is OEUCNCDGWLPYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NS/c1-5-7-12-11(6-8-13-4)9-10(2)3/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine?
5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine has a molecular weight of 201.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-methylsulfanyl-N-propylhex-4-en-3-amine is sourced from PubChem (CID 105163266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).