3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine

C8H17N3S — CID 13018876

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCSC1=NCCN1
InChIInChI=1S/C8H17N3S/c1-11(2)6-3-7-12-8-9-4-5-10-8/h3-7H2,1-2H3,(H,9,10)
InChIKeyKMFBOMKUKPBRBH-UHFFFAOYSA-N
MW187.31 g/mol
LogP0.63
Rot. Bonds4

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine (PubChem CID 13018876) has the molecular formula C8H17N3S and a molecular weight of 187.31 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
PubChem CID13018876
Molecular FormulaC8H17N3S
Molecular Weight187.31 g/mol
Exact Mass187.11
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCSC1=NCCN1
InChIInChI=1S/C8H17N3S/c1-11(2)6-3-7-12-8-9-4-5-10-8/h3-7H2,1-2H3,(H,9,10)
InChIKeyKMFBOMKUKPBRBH-UHFFFAOYSA-N
XLogP0.63
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine 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 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine (CID 13018876) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is CN(C)CCCSC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
The InChIKey is KMFBOMKUKPBRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3S/c1-11(2)6-3-7-12-8-9-4-5-10-8/h3-7H2,1-2H3,(H,9,10).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine has a molecular weight of 187.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 13018876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).