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

C9H15N3 — CID 60758017

IUPAC1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)C1CC1
InChIInChI=1S/C9H15N3/c1-12-5-4-11-9(12)6-8(10)7-2-3-7/h4-5,7-8H,2-3,6,10H2,1H3
InChIKeySMTFSUNYVRBZIO-UHFFFAOYSA-N
MW165.24 g/mol
LogP0.70
Rot. Bonds3

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

1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 60758017) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID60758017
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CC(N)C1CC1
InChIInChI=1S/C9H15N3/c1-12-5-4-11-9(12)6-8(10)7-2-3-7/h4-5,7-8H,2-3,6,10H2,1H3
InChIKeySMTFSUNYVRBZIO-UHFFFAOYSA-N
XLogP0.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine (CID 60758017) is 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CC(N)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is SMTFSUNYVRBZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-5-4-11-9(12)6-8(10)7-2-3-7/h4-5,7-8H,2-3,6,10H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine?
1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 165.24 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 60758017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).