2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine

C10H19NS — CID 103529246

IUPAC2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
SMILESCC(C)=CCNC1CCSC1C
InChIInChI=1S/C10H19NS/c1-8(2)4-6-11-10-5-7-12-9(10)3/h4,9-11H,5-7H2,1-3H3
InChIKeyWRKSRKBPHFYMHX-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds3

About 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine

2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine (PubChem CID 103529246) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
PubChem CID103529246
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC Name2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
SMILESCC(C)=CCNC1CCSC1C
InChIInChI=1S/C10H19NS/c1-8(2)4-6-11-10-5-7-12-9(10)3/h4,9-11H,5-7H2,1-3H3
InChIKeyWRKSRKBPHFYMHX-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.34
LogP ≤ 52.44
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

N-(2-ethylsulfanylethyl)-3-methylbut-2-en-1-amine
CID 60061027
(5S)-5-[bis(ethylsulfanyl)methyl]-2,3-dimethyl-2,5-dihydro-1H-pyrrole
CID 91522422
(7Z)-7-methyl-2,3,4,5,6,9-hexahydro-1,5-thiazonine
CID 169804307
5-[bis(ethylsulfanyl)methyl]-2,3-dimethyl-2,5-dihydro-1H-pyrrole
CID 20805131
N'-methyl-N'-(thiolan-3-yl)but-2-ene-1,4-diamine
CID 77110158
1-tert-butylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79177288
N-ethyl-1-ethylsulfanyl-3-methylbut-3-en-2-amine
CID 79178178
1-ethylsulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79178395
1-ethylsulfanyl-4-methyl-N-propylpent-3-en-2-amine
CID 79178606
1-butan-2-ylsulfanyl-N-ethyl-3-methylbut-3-en-2-amine
CID 79178610
N-ethyl-3-methyl-1-propylsulfanylbut-3-en-2-amine
CID 79178828
1-butan-2-ylsulfanyl-3-methyl-N-propylbut-3-en-2-amine
CID 79178830

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine (CID 103529246) is 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine is CC(C)=CCNC1CCSC1C.
What is the InChIKey of 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine?
The InChIKey is WRKSRKBPHFYMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-8(2)4-6-11-10-5-7-12-9(10)3/h4,9-11H,5-7H2,1-3H3.
What are the key properties of 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine?
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine is sourced from PubChem (CID 103529246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).