4-(2-cyclopropylethylsulfanyl)butan-2-amine

C9H19NS — CID 66234186

IUPAC4-(2-cyclopropylethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCCC1CC1
InChIInChI=1S/C9H19NS/c1-8(10)4-6-11-7-5-9-2-3-9/h8-9H,2-7,10H2,1H3
InChIKeyVAKQXFKVLBBUQK-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds6

About 4-(2-cyclopropylethylsulfanyl)butan-2-amine

4-(2-cyclopropylethylsulfanyl)butan-2-amine (PubChem CID 66234186) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 4-(2-cyclopropylethylsulfanyl)butan-2-amine.

Molecular Properties

Compound Name4-(2-cyclopropylethylsulfanyl)butan-2-amine
PubChem CID66234186
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name4-(2-cyclopropylethylsulfanyl)butan-2-amine
SMILESCC(N)CCSCCC1CC1
InChIInChI=1S/C9H19NS/c1-8(10)4-6-11-7-5-9-2-3-9/h8-9H,2-7,10H2,1H3
InChIKeyVAKQXFKVLBBUQK-UHFFFAOYSA-N
XLogP2.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-cyclopropylbutan-2-amine
CID 95367313
2-(2-methylpropylsulfanyl)ethylcyclopropane
CID 130718776
2-(2-cyclopentylethylsulfanyl)ethylcyclopentane
CID 90476031
(2R)-4-(2,2,2-trifluoroethylsulfanyl)butan-2-amine
CID 130236510
4-[2-(1-adamantyl)ethylsulfanyl]butan-2-amine
CID 66233949
5-cyclopropylpentane-2,3-diamine
CID 123404811
5-(3-aminobutylsulfanylmethyl)pyrrolidin-2-one
CID 107530256
4-[2-(4-methylpiperazin-1-yl)ethylsulfanyl]butan-2-amine
CID 82892012
2-(2-piperidin-4-ylethylsulfanyl)ethanamine
CID 105061316
5-(3-methylbutylsulfanyl)pentan-2-amine
CID 107764237
2-(3-aminobutylsulfanyl)-N-cyclopropylacetamide
CID 66234862
2-methylsulfanylethylcyclopropane
CID 23403340

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethylsulfanyl)butan-2-amine?
The IUPAC name of 4-(2-cyclopropylethylsulfanyl)butan-2-amine (CID 66234186) is 4-(2-cyclopropylethylsulfanyl)butan-2-amine.
What is the SMILES notation for 4-(2-cyclopropylethylsulfanyl)butan-2-amine?
The canonical SMILES for 4-(2-cyclopropylethylsulfanyl)butan-2-amine is CC(N)CCSCCC1CC1.
What is the InChIKey of 4-(2-cyclopropylethylsulfanyl)butan-2-amine?
The InChIKey is VAKQXFKVLBBUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(10)4-6-11-7-5-9-2-3-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 4-(2-cyclopropylethylsulfanyl)butan-2-amine?
4-(2-cyclopropylethylsulfanyl)butan-2-amine has a molecular weight of 173.32 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethylsulfanyl)butan-2-amine is sourced from PubChem (CID 66234186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).