1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine

C9H19NS — CID 63981997

IUPAC1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)C1(C)CC1
InChIInChI=1S/C9H19NS/c1-8(9(2)4-5-9)10-6-7-11-3/h8,10H,4-7H2,1-3H3
InChIKeyRHYSUELONNOTFO-UHFFFAOYSA-N
MW173.32 g/mol
LogP2.13
Rot. Bonds5

About 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine

1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine (PubChem CID 63981997) has the molecular formula C9H19NS and a molecular weight of 173.32 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
PubChem CID63981997
Molecular FormulaC9H19NS
Molecular Weight173.32 g/mol
Exact Mass173.12
IUPAC Name1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine
SMILESCSCCNC(C)C1(C)CC1
InChIInChI=1S/C9H19NS/c1-8(9(2)4-5-9)10-6-7-11-3/h8,10H,4-7H2,1-3H3
InChIKeyRHYSUELONNOTFO-UHFFFAOYSA-N
XLogP2.13
TPSA12.03 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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine?
The IUPAC name of 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine (CID 63981997) is 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine.
What is the SMILES notation for 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine?
The canonical SMILES for 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine is CSCCNC(C)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine?
The InChIKey is RHYSUELONNOTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NS/c1-8(9(2)4-5-9)10-6-7-11-3/h8,10H,4-7H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine?
1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine has a molecular weight of 173.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-N-(2-methylsulfanylethyl)ethanamine is sourced from PubChem (CID 63981997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).