3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride

C9H14ClN3 — CID 142795958

IUPAC3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride
SMILESCl.NC1C=C(n2ccnc2)CCC1
InChIInChI=1S/C9H13N3.ClH/c10-8-2-1-3-9(6-8)12-5-4-11-7-12;/h4-8H,1-3,10H2;1H
InChIKeyXSMVHDZMCONCRF-UHFFFAOYSA-N
MW199.69 g/mol
LogP1.66
Rot. Bonds1

About 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride

3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride (PubChem CID 142795958) has the molecular formula C9H14ClN3 and a molecular weight of 199.69 g/mol. Its IUPAC name is 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride
PubChem CID142795958
Molecular FormulaC9H14ClN3
Molecular Weight199.69 g/mol
Exact Mass199.09
IUPAC Name3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride
SMILESCl.NC1C=C(n2ccnc2)CCC1
InChIInChI=1S/C9H13N3.ClH/c10-8-2-1-3-9(6-8)12-5-4-11-7-12;/h4-8H,1-3,10H2;1H
InChIKeyXSMVHDZMCONCRF-UHFFFAOYSA-N
XLogP1.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.69
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride?
The IUPAC name of 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride (CID 142795958) is 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride.
What is the SMILES notation for 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride?
The canonical SMILES for 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride is Cl.NC1C=C(n2ccnc2)CCC1.
What is the InChIKey of 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride?
The InChIKey is XSMVHDZMCONCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.ClH/c10-8-2-1-3-9(6-8)12-5-4-11-7-12;/h4-8H,1-3,10H2;1H.
What are the key properties of 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride?
3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride has a molecular weight of 199.69 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-ylcyclohex-2-en-1-amine;hydrochloride is sourced from PubChem (CID 142795958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).