N-(2-cyclopentylsulfanylpropyl)butan-2-amine

C12H25NS — CID 63115777

IUPACN-(2-cyclopentylsulfanylpropyl)butan-2-amine
SMILESCCC(C)NCC(C)SC1CCCC1
InChIInChI=1S/C12H25NS/c1-4-10(2)13-9-11(3)14-12-7-5-6-8-12/h10-13H,4-9H2,1-3H3
InChIKeyGHWVXQOMWRLMET-UHFFFAOYSA-N
MW215.41 g/mol
LogP3.44
Rot. Bonds6

About N-(2-cyclopentylsulfanylpropyl)butan-2-amine

N-(2-cyclopentylsulfanylpropyl)butan-2-amine (PubChem CID 63115777) has the molecular formula C12H25NS and a molecular weight of 215.41 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylpropyl)butan-2-amine.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylpropyl)butan-2-amine
PubChem CID63115777
Molecular FormulaC12H25NS
Molecular Weight215.41 g/mol
Exact Mass215.17
IUPAC NameN-(2-cyclopentylsulfanylpropyl)butan-2-amine
SMILESCCC(C)NCC(C)SC1CCCC1
InChIInChI=1S/C12H25NS/c1-4-10(2)13-9-11(3)14-12-7-5-6-8-12/h10-13H,4-9H2,1-3H3
InChIKeyGHWVXQOMWRLMET-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylpropyl)butan-2-amine?
The IUPAC name of N-(2-cyclopentylsulfanylpropyl)butan-2-amine (CID 63115777) is N-(2-cyclopentylsulfanylpropyl)butan-2-amine.
What is the SMILES notation for N-(2-cyclopentylsulfanylpropyl)butan-2-amine?
The canonical SMILES for N-(2-cyclopentylsulfanylpropyl)butan-2-amine is CCC(C)NCC(C)SC1CCCC1.
What is the InChIKey of N-(2-cyclopentylsulfanylpropyl)butan-2-amine?
The InChIKey is GHWVXQOMWRLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NS/c1-4-10(2)13-9-11(3)14-12-7-5-6-8-12/h10-13H,4-9H2,1-3H3.
What are the key properties of N-(2-cyclopentylsulfanylpropyl)butan-2-amine?
N-(2-cyclopentylsulfanylpropyl)butan-2-amine has a molecular weight of 215.41 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylpropyl)butan-2-amine is sourced from PubChem (CID 63115777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).