[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride

C7H12ClN3 — CID 129319570

IUPAC[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(c2cnc[nH]2)CC1
InChIInChI=1S/C7H11N3.ClH/c8-4-7(1-2-7)6-3-9-5-10-6;/h3,5H,1-2,4,8H2,(H,9,10);1H
InChIKeyHPVLDKTXWHDYTG-UHFFFAOYSA-N
MW173.65 g/mol
LogP0.82
Rot. Bonds2

About [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride

[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride (PubChem CID 129319570) has the molecular formula C7H12ClN3 and a molecular weight of 173.65 g/mol. Its IUPAC name is [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride
PubChem CID129319570
Molecular FormulaC7H12ClN3
Molecular Weight173.65 g/mol
Exact Mass173.07
IUPAC Name[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride
SMILESCl.NCC1(c2cnc[nH]2)CC1
InChIInChI=1S/C7H11N3.ClH/c8-4-7(1-2-7)6-3-9-5-10-6;/h3,5H,1-2,4,8H2,(H,9,10);1H
InChIKeyHPVLDKTXWHDYTG-UHFFFAOYSA-N
XLogP0.82
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.65
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride?
The IUPAC name of [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride (CID 129319570) is [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride.
What is the SMILES notation for [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride?
The canonical SMILES for [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride is Cl.NCC1(c2cnc[nH]2)CC1.
What is the InChIKey of [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride?
The InChIKey is HPVLDKTXWHDYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.ClH/c8-4-7(1-2-7)6-3-9-5-10-6;/h3,5H,1-2,4,8H2,(H,9,10);1H.
What are the key properties of [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride?
[1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride has a molecular weight of 173.65 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-5-yl)cyclopropyl]methanamine;hydrochloride is sourced from PubChem (CID 129319570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).