3-(3-methyl-2H-imidazol-1-yl)propan-1-amine

C7H15N3 — CID 91409867

IUPAC3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
SMILESCN1C=CN(CCCN)C1
InChIInChI=1S/C7H15N3/c1-9-5-6-10(7-9)4-2-3-8/h5-6H,2-4,7-8H2,1H3
InChIKeyUHVULTHJALNHMG-UHFFFAOYSA-N
MW141.22 g/mol
LogP0.01
Rot. Bonds3

About 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine

3-(3-methyl-2H-imidazol-1-yl)propan-1-amine (PubChem CID 91409867) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
PubChem CID91409867
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
SMILESCN1C=CN(CCCN)C1
InChIInChI=1S/C7H15N3/c1-9-5-6-10(7-9)4-2-3-8/h5-6H,2-4,7-8H2,1H3
InChIKeyUHVULTHJALNHMG-UHFFFAOYSA-N
XLogP0.01
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine (CID 91409867) is 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine is CN1C=CN(CCCN)C1.
What is the InChIKey of 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine?
The InChIKey is UHVULTHJALNHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3/c1-9-5-6-10(7-9)4-2-3-8/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine?
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine has a molecular weight of 141.22 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-2H-imidazol-1-yl)propan-1-amine is sourced from PubChem (CID 91409867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).