N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine

C13H27NS — CID 103729880

IUPACN-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
SMILESCCCC(CCC)NC1CCCC1SC
InChIInChI=1S/C13H27NS/c1-4-7-11(8-5-2)14-12-9-6-10-13(12)15-3/h11-14H,4-10H2,1-3H3
InChIKeyIFOSJSHQTUVASF-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.83
Rot. Bonds7

About N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine

N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine (PubChem CID 103729880) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
PubChem CID103729880
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine
SMILESCCCC(CCC)NC1CCCC1SC
InChIInChI=1S/C13H27NS/c1-4-7-11(8-5-2)14-12-9-6-10-13(12)15-3/h11-14H,4-10H2,1-3H3
InChIKeyIFOSJSHQTUVASF-UHFFFAOYSA-N
XLogP3.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-hexan-2-yl-2-methylsulfanylcyclopentan-1-amine
CID 103786645
N-(1-methoxybutan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 75428385
N-heptan-4-yl-2-methylcyclopentan-1-amine
CID 63277449
2-(heptan-4-ylamino)cyclopentan-1-ol
CID 115677217
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
N-(2-methylpropyl)-2-methylsulfanylcyclopentan-1-amine
CID 103880670
N-(4-methoxy-4-methylpentan-2-yl)-2-methylsulfanylcyclopentan-1-amine
CID 103786640
2-methylsulfanyl-N-propylcyclododecan-1-amine
CID 64628691
N-(4-methylpentyl)-2-methylsulfanylcyclopentan-1-amine
CID 102672397
2-methylsulfanyl-N-(4-phenylbutan-2-yl)cyclopentan-1-amine
CID 113250285
N-[1-(4-methoxyphenyl)propyl]-2-methylsulfanylcyclopentan-1-amine
CID 103786632

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine?
The IUPAC name of N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine (CID 103729880) is N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine is CCCC(CCC)NC1CCCC1SC.
What is the InChIKey of N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine?
The InChIKey is IFOSJSHQTUVASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-4-7-11(8-5-2)14-12-9-6-10-13(12)15-3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine?
N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-2-methylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 103729880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).