N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine

C10H19NS — CID 103088403

IUPACN-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine
SMILESCSCCCCNC1CC=CC1
InChIInChI=1S/C10H19NS/c1-12-9-5-4-8-11-10-6-2-3-7-10/h2-3,10-11H,4-9H2,1H3
InChIKeyGFXRVQSJTBUZTJ-UHFFFAOYSA-N
MW185.34 g/mol
LogP2.44
Rot. Bonds6

About N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine

N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine (PubChem CID 103088403) has the molecular formula C10H19NS and a molecular weight of 185.34 g/mol. Its IUPAC name is N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine
PubChem CID103088403
Molecular FormulaC10H19NS
Molecular Weight185.34 g/mol
Exact Mass185.12
IUPAC NameN-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine
SMILESCSCCCCNC1CC=CC1
InChIInChI=1S/C10H19NS/c1-12-9-5-4-8-11-10-6-2-3-7-10/h2-3,10-11H,4-9H2,1H3
InChIKeyGFXRVQSJTBUZTJ-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-2-(4-methylpent-3-en-1-yl)-1,3-thiazolidine
CID 3040236
Thiazolidine, 2-(3-pentenyl)-, (E)-
CID 6447464
Thiazolidine, 2-(3-heptenyl)-2-methyl-, (E)-
CID 6447468
Thiazolidine, 2-(3,6-heptadienyl)-2-methyl-, (E)-
CID 6447469
Thiazolidine, 2-methyl-2-(3-pentenyl)-, (E)-
CID 6447466
Thiazolidine, 2-(3,5-hexadienyl)-2-methyl-, (E)-
CID 6447467
N-[2-(trifluoromethylsulfanyl)ethyl]cyclopent-3-en-1-amine
CID 116615780
2-((Z)-2-heptenyl)thiazolidine
CID 5352327
2-((Z)-2-hexenyl)thiazolidine
CID 5352328
2-((Z)-2-octenyl)thiazolidine
CID 5352329
N-ethyl-2-propyl-2,3-dihydrothiophen-3-amine
CID 54101904
N,2-dipropyl-2,3-dihydrothiophen-3-amine
CID 54478450

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine?
The IUPAC name of N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine (CID 103088403) is N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine.
What is the SMILES notation for N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine?
The canonical SMILES for N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine is CSCCCCNC1CC=CC1.
What is the InChIKey of N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine?
The InChIKey is GFXRVQSJTBUZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NS/c1-12-9-5-4-8-11-10-6-2-3-7-10/h2-3,10-11H,4-9H2,1H3.
What are the key properties of N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine?
N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine has a molecular weight of 185.34 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanylbutyl)cyclopent-3-en-1-amine is sourced from PubChem (CID 103088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).