N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine

C13H27NS — CID 115910663

IUPACN-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NC(C)C(C)(C)C)C1
InChIInChI=1S/C13H27NS/c1-6-15-12-8-7-11(9-12)14-10(2)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyKZXFUVZWELMVOT-UHFFFAOYSA-N
MW229.43 g/mol
LogP3.68
Rot. Bonds4

About N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine

N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine (PubChem CID 115910663) has the molecular formula C13H27NS and a molecular weight of 229.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
PubChem CID115910663
Molecular FormulaC13H27NS
Molecular Weight229.43 g/mol
Exact Mass229.19
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine
SMILESCCSC1CCC(NC(C)C(C)(C)C)C1
InChIInChI=1S/C13H27NS/c1-6-15-12-8-7-11(9-12)14-10(2)13(3,4)5/h10-12,14H,6-9H2,1-5H3
InChIKeyKZXFUVZWELMVOT-UHFFFAOYSA-N
XLogP3.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine (CID 115910663) is N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine is CCSC1CCC(NC(C)C(C)(C)C)C1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine?
The InChIKey is KZXFUVZWELMVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NS/c1-6-15-12-8-7-11(9-12)14-10(2)13(3,4)5/h10-12,14H,6-9H2,1-5H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine?
N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine has a molecular weight of 229.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-ethylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 115910663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).