1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride

C7H13Cl2N3 — CID 138040111

IUPAC1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cn(CC2CC2)cn1
InChIInChI=1S/C7H11N3.2ClH/c8-7-4-10(5-9-7)3-6-1-2-6;;/h4-6H,1-3,8H2;2*1H
InChIKeyCNSVJSGNPPQYMM-UHFFFAOYSA-N
MW210.11 g/mol
LogP1.72
Rot. Bonds2

About 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride

1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride (PubChem CID 138040111) has the molecular formula C7H13Cl2N3 and a molecular weight of 210.11 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride.

Molecular Properties

Compound Name1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride
PubChem CID138040111
Molecular FormulaC7H13Cl2N3
Molecular Weight210.11 g/mol
Exact Mass209.05
IUPAC Name1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride
SMILESCl.Cl.Nc1cn(CC2CC2)cn1
InChIInChI=1S/C7H11N3.2ClH/c8-7-4-10(5-9-7)3-6-1-2-6;;/h4-6H,1-3,8H2;2*1H
InChIKeyCNSVJSGNPPQYMM-UHFFFAOYSA-N
XLogP1.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.11
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride?
The IUPAC name of 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride (CID 138040111) is 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride.
What is the SMILES notation for 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride?
The canonical SMILES for 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride is Cl.Cl.Nc1cn(CC2CC2)cn1.
What is the InChIKey of 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride?
The InChIKey is CNSVJSGNPPQYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.2ClH/c8-7-4-10(5-9-7)3-6-1-2-6;;/h4-6H,1-3,8H2;2*1H.
What are the key properties of 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride?
1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride has a molecular weight of 210.11 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)imidazol-4-amine;dihydrochloride is sourced from PubChem (CID 138040111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).