1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine

C12H19NOS — CID 62579053

IUPAC1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSCc1ccco1)C1CC1
InChIInChI=1S/C12H19NOS/c1-10(11-4-5-11)13-6-8-15-9-12-3-2-7-14-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3
InChIKeyDULMZQKQVMBPCK-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.90
Rot. Bonds7

About 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine

1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine (PubChem CID 62579053) has the molecular formula C12H19NOS and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
PubChem CID62579053
Molecular FormulaC12H19NOS
Molecular Weight225.36 g/mol
Exact Mass225.12
IUPAC Name1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine
SMILESCC(NCCSCc1ccco1)C1CC1
InChIInChI=1S/C12H19NOS/c1-10(11-4-5-11)13-6-8-15-9-12-3-2-7-14-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3
InChIKeyDULMZQKQVMBPCK-UHFFFAOYSA-N
XLogP2.90
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-methylbutan-2-amine
CID 62578853
N-[2-(furan-2-ylmethylsulfanyl)ethyl]pentan-2-amine
CID 62577157
N-[2-(furan-2-ylmethylsulfanyl)ethyl]cyclopentanamine
CID 60663449
N-[1-cyclopropyl-2-(furan-2-ylmethylsulfanyl)ethyl]propan-1-amine
CID 64612353
N-[2-(furan-2-ylmethylsulfanyl)ethyl]oxan-4-amine
CID 63098847
1-cyclohexyl-N-(furan-2-ylmethyl)ethanamine
CID 43754928
1-cyclopropyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]ethanamine
CID 115676262
2-(furan-2-ylmethylsulfanyl)-N-[(5-methylthiophen-2-yl)methyl]ethanamine
CID 60663461
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60690765
2-(cyclopropylamino)-4-(furan-2-ylmethylsulfanyl)-2-methylbutan-1-ol
CID 64821265
2-(cyclopropylmethylsulfanylmethyl)furan
CID 131208712

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine (CID 62579053) is 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine is CC(NCCSCc1ccco1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine?
The InChIKey is DULMZQKQVMBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NOS/c1-10(11-4-5-11)13-6-8-15-9-12-3-2-7-14-12/h2-3,7,10-11,13H,4-6,8-9H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine has a molecular weight of 225.36 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]ethanamine is sourced from PubChem (CID 62579053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).