3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride

C10H19Cl2N3 — CID 155820680

IUPAC3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CCCC(N)C1
InChIInChI=1S/C10H17N3.2ClH/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8;;/h5-6,8-9H,2-4,7,11H2,1H3;2*1H
InChIKeyXBXIWWFLUXFKKF-UHFFFAOYSA-N
MW252.19 g/mol
LogP2.25
Rot. Bonds1

About 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride

3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride (PubChem CID 155820680) has the molecular formula C10H19Cl2N3 and a molecular weight of 252.19 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride
PubChem CID155820680
Molecular FormulaC10H19Cl2N3
Molecular Weight252.19 g/mol
Exact Mass251.10
IUPAC Name3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.Cn1ccnc1C1CCCC(N)C1
InChIInChI=1S/C10H17N3.2ClH/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8;;/h5-6,8-9H,2-4,7,11H2,1H3;2*1H
InChIKeyXBXIWWFLUXFKKF-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride?
The IUPAC name of 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride (CID 155820680) is 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride is Cl.Cl.Cn1ccnc1C1CCCC(N)C1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride?
The InChIKey is XBXIWWFLUXFKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3.2ClH/c1-13-6-5-12-10(13)8-3-2-4-9(11)7-8;;/h5-6,8-9H,2-4,7,11H2,1H3;2*1H.
What are the key properties of 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride?
3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride has a molecular weight of 252.19 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)cyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 155820680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).