2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine

C10H17N3 — CID 86820597

IUPAC2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine
SMILESCc1cnc(CCN)n1CC1CC1
InChIInChI=1S/C10H17N3/c1-8-6-12-10(4-5-11)13(8)7-9-2-3-9/h6,9H,2-5,7,11H2,1H3
InChIKeyAMEGDBICRWPRIX-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.10
Rot. Bonds4

About 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine

2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine (PubChem CID 86820597) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine
PubChem CID86820597
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine
SMILESCc1cnc(CCN)n1CC1CC1
InChIInChI=1S/C10H17N3/c1-8-6-12-10(4-5-11)13(8)7-9-2-3-9/h6,9H,2-5,7,11H2,1H3
InChIKeyAMEGDBICRWPRIX-UHFFFAOYSA-N
XLogP1.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine (CID 86820597) is 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine is Cc1cnc(CCN)n1CC1CC1.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine?
The InChIKey is AMEGDBICRWPRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-6-12-10(4-5-11)13(8)7-9-2-3-9/h6,9H,2-5,7,11H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine?
2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]ethanamine is sourced from PubChem (CID 86820597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).