1-cyclobutyl-3-ethylsulfanylpropan-2-amine

C9H19NS — CID 65457451

IUPAC1-cyclobutyl-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)CC1CCC1
InChIInChI=1S/C9H19NS/c1-2-11-7-9(10)6-8-4-3-5-8/h8-9H,2-7,10H2,1H3
InChIKeySSBTWBPLQJZUPG-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclobutyl-3-ethylsulfanylpropan-2-amine

1-cyclobutyl-3-ethylsulfanylpropan-2-amine (PubChem CID 65457451) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-ethylsulfanylpropan-2-amine
PubChem CID65457451
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-cyclobutyl-3-ethylsulfanylpropan-2-amine
SMILESCCSCC(N)CC1CCC1
InChIInChI=1S/C9H19NS/c1-2-11-7-9(10)6-8-4-3-5-8/h8-9H,2-7,10H2,1H3
InChIKeySSBTWBPLQJZUPG-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-cyclopentylbutan-2-amine
CID 58736664
1-cyclobutyl-4-ethylhexan-2-amine
CID 103169365
1,3-dicyclopentylpropan-2-amine
CID 58122660
(2S)-1-cyclobutylpropan-2-amine
CID 66713874
(2R)-1-cyclobutylpropan-2-amine
CID 124506916
1-cyclopentyldecan-2-amine
CID 115835607
1-cyclobutyl-4-methylpent-4-en-2-amine
CID 89233706
cyclohexanamine;(2S)-1-cyclohexylbutan-2-amine;cyclopentane;ethane
CID 143080326
4-cyclobutyl-1-N,1-N-dimethylbutane-1,3-diamine
CID 115346236
[2-ethylsulfanyl-1-(3-methylcyclohexyl)ethyl]hydrazine
CID 105225275
1-cycloheptylheptan-2-amine
CID 115837607
1-cyclopentyl-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097359

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-ethylsulfanylpropan-2-amine?
The IUPAC name of 1-cyclobutyl-3-ethylsulfanylpropan-2-amine (CID 65457451) is 1-cyclobutyl-3-ethylsulfanylpropan-2-amine.
What is the SMILES notation for 1-cyclobutyl-3-ethylsulfanylpropan-2-amine?
The canonical SMILES for 1-cyclobutyl-3-ethylsulfanylpropan-2-amine is CCSCC(N)CC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-ethylsulfanylpropan-2-amine?
The InChIKey is SSBTWBPLQJZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-11-7-9(10)6-8-4-3-5-8/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-cyclobutyl-3-ethylsulfanylpropan-2-amine?
1-cyclobutyl-3-ethylsulfanylpropan-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 65457451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).