(3-ethylimidazol-4-yl)methanamine;dihydrochloride

C6H13Cl2N3 — CID 53398801

IUPAC(3-ethylimidazol-4-yl)methanamine;dihydrochloride
SMILESCCn1cncc1CN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-2-9-5-8-4-6(9)3-7;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKeyJQXXUBCHSZSDDG-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.21
Rot. Bonds2

About (3-ethylimidazol-4-yl)methanamine;dihydrochloride

(3-ethylimidazol-4-yl)methanamine;dihydrochloride (PubChem CID 53398801) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)methanamine;dihydrochloride
PubChem CID53398801
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(3-ethylimidazol-4-yl)methanamine;dihydrochloride
SMILESCCn1cncc1CN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-2-9-5-8-4-6(9)3-7;;/h4-5H,2-3,7H2,1H3;2*1H
InChIKeyJQXXUBCHSZSDDG-UHFFFAOYSA-N
XLogP1.21
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (3-ethylimidazol-4-yl)methanamine;dihydrochloride (CID 53398801) is (3-ethylimidazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3-ethylimidazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (3-ethylimidazol-4-yl)methanamine;dihydrochloride is CCn1cncc1CN.Cl.Cl.
What is the InChIKey of (3-ethylimidazol-4-yl)methanamine;dihydrochloride?
The InChIKey is JQXXUBCHSZSDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-2-9-5-8-4-6(9)3-7;;/h4-5H,2-3,7H2,1H3;2*1H.
What are the key properties of (3-ethylimidazol-4-yl)methanamine;dihydrochloride?
(3-ethylimidazol-4-yl)methanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 53398801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).