[1-(2-propylsulfanylethyl)cyclopropyl]methanamine

C9H19NS — CID 84766548

IUPAC[1-(2-propylsulfanylethyl)cyclopropyl]methanamine
SMILESCCCSCCC1(CN)CC1
InChIInChI=1S/C9H19NS/c1-2-6-11-7-5-9(8-10)3-4-9/h2-8,10H2,1H3
InChIKeyZKUJCMDWJRPDRE-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.26
Rot. Bonds6

About [1-(2-propylsulfanylethyl)cyclopropyl]methanamine

[1-(2-propylsulfanylethyl)cyclopropyl]methanamine (PubChem CID 84766548) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is [1-(2-propylsulfanylethyl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-(2-propylsulfanylethyl)cyclopropyl]methanamine
PubChem CID84766548
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name[1-(2-propylsulfanylethyl)cyclopropyl]methanamine
SMILESCCCSCCC1(CN)CC1
InChIInChI=1S/C9H19NS/c1-2-6-11-7-5-9(8-10)3-4-9/h2-8,10H2,1H3
InChIKeyZKUJCMDWJRPDRE-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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Frequently Asked Questions

What is the IUPAC name of [1-(2-propylsulfanylethyl)cyclopropyl]methanamine?
The IUPAC name of [1-(2-propylsulfanylethyl)cyclopropyl]methanamine (CID 84766548) is [1-(2-propylsulfanylethyl)cyclopropyl]methanamine.
What is the SMILES notation for [1-(2-propylsulfanylethyl)cyclopropyl]methanamine?
The canonical SMILES for [1-(2-propylsulfanylethyl)cyclopropyl]methanamine is CCCSCCC1(CN)CC1.
What is the InChIKey of [1-(2-propylsulfanylethyl)cyclopropyl]methanamine?
The InChIKey is ZKUJCMDWJRPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-2-6-11-7-5-9(8-10)3-4-9/h2-8,10H2,1H3.
What are the key properties of [1-(2-propylsulfanylethyl)cyclopropyl]methanamine?
[1-(2-propylsulfanylethyl)cyclopropyl]methanamine 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 [1-(2-propylsulfanylethyl)cyclopropyl]methanamine is sourced from PubChem (CID 84766548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).