1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

C15H22N4 — CID 79105422

IUPAC1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cncn2C2CC2)c1
InChIInChI=1S/C15H22N4/c1-3-15(16-2)12-6-7-18(9-12)10-14-8-17-11-19(14)13-4-5-13/h6-9,11,13,15-16H,3-5,10H2,1-2H3
InChIKeyMAJUJOUBSYCESJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.74
Rot. Bonds6

About 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine

1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (PubChem CID 79105422) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
PubChem CID79105422
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine
SMILESCCC(NC)c1ccn(Cc2cncn2C2CC2)c1
InChIInChI=1S/C15H22N4/c1-3-15(16-2)12-6-7-18(9-12)10-14-8-17-11-19(14)13-4-5-13/h6-9,11,13,15-16H,3-5,10H2,1-2H3
InChIKeyMAJUJOUBSYCESJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-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 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The IUPAC name of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine (CID 79105422) is 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The canonical SMILES for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is CCC(NC)c1ccn(Cc2cncn2C2CC2)c1.
What is the InChIKey of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
The InChIKey is MAJUJOUBSYCESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-15(16-2)12-6-7-18(9-12)10-14-8-17-11-19(14)13-4-5-13/h6-9,11,13,15-16H,3-5,10H2,1-2H3.
What are the key properties of 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine?
1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine has a molecular weight of 258.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-cyclopropylimidazol-4-yl)methyl]pyrrol-3-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 79105422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).