cyclopropyl-(1-methylimidazol-2-yl)methanamine

C8H13N3 — CID 16641495

IUPACcyclopropyl-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)C1CC1
InChIInChI=1S/C8H13N3/c1-11-5-4-10-8(11)7(9)6-2-3-6/h4-7H,2-3,9H2,1H3
InChIKeyUQAHJVSDSGXTPI-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.83
Rot. Bonds2

About cyclopropyl-(1-methylimidazol-2-yl)methanamine

cyclopropyl-(1-methylimidazol-2-yl)methanamine (PubChem CID 16641495) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is cyclopropyl-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Namecyclopropyl-(1-methylimidazol-2-yl)methanamine
PubChem CID16641495
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Namecyclopropyl-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)C1CC1
InChIInChI=1S/C8H13N3/c1-11-5-4-10-8(11)7(9)6-2-3-6/h4-7H,2-3,9H2,1H3
InChIKeyUQAHJVSDSGXTPI-UHFFFAOYSA-N
XLogP0.83
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of cyclopropyl-(1-methylimidazol-2-yl)methanamine (CID 16641495) is cyclopropyl-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for cyclopropyl-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for cyclopropyl-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(N)C1CC1.
What is the InChIKey of cyclopropyl-(1-methylimidazol-2-yl)methanamine?
The InChIKey is UQAHJVSDSGXTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-11-5-4-10-8(11)7(9)6-2-3-6/h4-7H,2-3,9H2,1H3.
What are the key properties of cyclopropyl-(1-methylimidazol-2-yl)methanamine?
cyclopropyl-(1-methylimidazol-2-yl)methanamine has a molecular weight of 151.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 16641495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).