3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine

C7H15N3 — CID 90920081

IUPAC3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CC=NC1
InChIInChI=1S/C7H15N3/c1-8-3-2-5-10-6-4-9-7-10/h4,8H,2-3,5-7H2,1H3
InChIKeyXSBSNJBTWFTSFP-UHFFFAOYSA-N
MW141.22 g/mol
LogP-0.06
Rot. Bonds4

About 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine

3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine (PubChem CID 90920081) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine
PubChem CID90920081
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine
SMILESCNCCCN1CC=NC1
InChIInChI=1S/C7H15N3/c1-8-3-2-5-10-6-4-9-7-10/h4,8H,2-3,5-7H2,1H3
InChIKeyXSBSNJBTWFTSFP-UHFFFAOYSA-N
XLogP-0.06
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-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-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine (CID 90920081) is 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine is CNCCCN1CC=NC1.
What is the InChIKey of 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine?
The InChIKey is XSBSNJBTWFTSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-8-3-2-5-10-6-4-9-7-10/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine?
3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine has a molecular weight of 141.22 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroimidazol-3-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 90920081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).