(1-cyclopropylimidazol-2-yl)methanamine;hydrochloride

C7H12ClN3 — CID 162422845

IUPAC(1-cyclopropylimidazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nccn1C1CC1
InChIInChI=1S/C7H11N3.ClH/c8-5-7-9-3-4-10(7)6-1-2-6;/h3-4,6H,1-2,5,8H2;1H
InChIKeyHEOUBBIHDGDMKD-UHFFFAOYSA-N
MW173.65 g/mol
LogP1.10
Rot. Bonds2

About (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride

(1-cyclopropylimidazol-2-yl)methanamine;hydrochloride (PubChem CID 162422845) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(1-cyclopropylimidazol-2-yl)methanamine;hydrochloride
PubChem CID162422845
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name(1-cyclopropylimidazol-2-yl)methanamine;hydrochloride
SMILESCl.NCc1nccn1C1CC1
InChIInChI=1S/C7H11N3.ClH/c8-5-7-9-3-4-10(7)6-1-2-6;/h3-4,6H,1-2,5,8H2;1H
InChIKeyHEOUBBIHDGDMKD-UHFFFAOYSA-N
XLogP1.10
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride?
The IUPAC name of (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride (CID 162422845) is (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride.
What is the SMILES notation for (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride?
The canonical SMILES for (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride is Cl.NCc1nccn1C1CC1.
What is the InChIKey of (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride?
The InChIKey is HEOUBBIHDGDMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c8-5-7-9-3-4-10(7)6-1-2-6;/h3-4,6H,1-2,5,8H2;1H.
What are the key properties of (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride?
(1-cyclopropylimidazol-2-yl)methanamine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylimidazol-2-yl)methanamine;hydrochloride is sourced from PubChem (CID 162422845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).