2-butan-2-ylsulfanylcyclopentan-1-amine

C9H19NS — CID 64613407

IUPAC2-butan-2-ylsulfanylcyclopentan-1-amine
SMILESCCC(C)SC1CCCC1N
InChIInChI=1S/C9H19NS/c1-3-7(2)11-9-6-4-5-8(9)10/h7-9H,3-6,10H2,1-2H3
InChIKeyGGKZYNDIXACMCO-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.40
Rot. Bonds3

About 2-butan-2-ylsulfanylcyclopentan-1-amine

2-butan-2-ylsulfanylcyclopentan-1-amine (PubChem CID 64613407) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 2-butan-2-ylsulfanylcyclopentan-1-amine.

Molecular Properties

Compound Name2-butan-2-ylsulfanylcyclopentan-1-amine
PubChem CID64613407
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name2-butan-2-ylsulfanylcyclopentan-1-amine
SMILESCCC(C)SC1CCCC1N
InChIInChI=1S/C9H19NS/c1-3-7(2)11-9-6-4-5-8(9)10/h7-9H,3-6,10H2,1-2H3
InChIKeyGGKZYNDIXACMCO-UHFFFAOYSA-N
XLogP2.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminobutan-2-ylsulfanyl)cyclohexan-1-amine
CID 106440988
3-(2-aminocyclooctyl)sulfanylbutan-1-ol
CID 66138218
2-butan-2-ylsulfanyl-4-methylcyclohexan-1-amine
CID 64614662
2-(3-methylbutan-2-ylsulfanyl)cyclopentan-1-amine
CID 107747108
2-butan-2-ylsulfanyl-N-ethylcyclooctan-1-amine
CID 64613411
2-butan-2-ylsulfanylcyclohexane-1-carboxylic acid
CID 63100313
3-(2-ethylcyclohexyl)sulfanylbutan-1-amine
CID 66231198
butan-2-ylsulfanylcyclopropane
CID 59881925
(2-butan-2-ylsulfanyl-4-ethylcyclohexyl)methanamine
CID 43530010
trans-(1R,2S)-2-butan-2-ylcyclohexan-1-amine
CID 22853538
trans-(1R,2R)-2-(4-hydroxybutan-2-ylsulfanyl)cyclopentan-1-ol
CID 102735775
2-(2-ethylbutyl)cyclopentan-1-amine
CID 82929717

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanylcyclopentan-1-amine?
The IUPAC name of 2-butan-2-ylsulfanylcyclopentan-1-amine (CID 64613407) is 2-butan-2-ylsulfanylcyclopentan-1-amine.
What is the SMILES notation for 2-butan-2-ylsulfanylcyclopentan-1-amine?
The canonical SMILES for 2-butan-2-ylsulfanylcyclopentan-1-amine is CCC(C)SC1CCCC1N.
What is the InChIKey of 2-butan-2-ylsulfanylcyclopentan-1-amine?
The InChIKey is GGKZYNDIXACMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-3-7(2)11-9-6-4-5-8(9)10/h7-9H,3-6,10H2,1-2H3.
What are the key properties of 2-butan-2-ylsulfanylcyclopentan-1-amine?
2-butan-2-ylsulfanylcyclopentan-1-amine has a molecular weight of 173.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanylcyclopentan-1-amine is sourced from PubChem (CID 64613407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).