N-[(3-methylimidazol-4-yl)methyl]ethanamine

C7H13N3 — CID 59746123

IUPACN-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNCc1cncn1C
InChIInChI=1S/C7H13N3/c1-3-8-4-7-5-9-6-10(7)2/h5-6,8H,3-4H2,1-2H3
InChIKeyWKPWHYQARUMITO-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.53
Rot. Bonds3

About N-[(3-methylimidazol-4-yl)methyl]ethanamine

N-[(3-methylimidazol-4-yl)methyl]ethanamine (PubChem CID 59746123) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-[(3-methylimidazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methylimidazol-4-yl)methyl]ethanamine
PubChem CID59746123
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-[(3-methylimidazol-4-yl)methyl]ethanamine
SMILESCCNCc1cncn1C
InChIInChI=1S/C7H13N3/c1-3-8-4-7-5-9-6-10(7)2/h5-6,8H,3-4H2,1-2H3
InChIKeyWKPWHYQARUMITO-UHFFFAOYSA-N
XLogP0.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.53
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]ethanamine?
The IUPAC name of N-[(3-methylimidazol-4-yl)methyl]ethanamine (CID 59746123) is N-[(3-methylimidazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-methylimidazol-4-yl)methyl]ethanamine is CCNCc1cncn1C.
What is the InChIKey of N-[(3-methylimidazol-4-yl)methyl]ethanamine?
The InChIKey is WKPWHYQARUMITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-3-8-4-7-5-9-6-10(7)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of N-[(3-methylimidazol-4-yl)methyl]ethanamine?
N-[(3-methylimidazol-4-yl)methyl]ethanamine has a molecular weight of 139.20 g/mol, XLogP of 0.53, 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]ethanamine is sourced from PubChem (CID 59746123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).