N-[(3-methylimidazol-4-yl)methyl]propan-2-amine

C8H15N3 — CID 59237459

IUPACN-[(3-methylimidazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cncn1C
InChIInChI=1S/C8H15N3/c1-7(2)10-5-8-4-9-6-11(8)3/h4,6-7,10H,5H2,1-3H3
InChIKeyTWUJALPVPMABIA-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.92
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]propan-2-amine

N-[(3-methylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 59237459) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]propan-2-amine
PubChem CID59237459
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cncn1C
InChIInChI=1S/C8H15N3/c1-7(2)10-5-8-4-9-6-11(8)3/h4,6-7,10H,5H2,1-3H3
InChIKeyTWUJALPVPMABIA-UHFFFAOYSA-N
XLogP0.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]propan-2-amine (CID 59237459) is N-[(3-methylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is TWUJALPVPMABIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7(2)10-5-8-4-9-6-11(8)3/h4,6-7,10H,5H2,1-3H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]propan-2-amine?
N-[(3-methylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 59237459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).