spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride

C13H18ClN3 — CID 67568659

IUPACspiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
SMILESCl.NC1=NC2(CCCCC2)Nc2ccccc21
InChIInChI=1S/C13H17N3.ClH/c14-12-10-6-2-3-7-11(10)15-13(16-12)8-4-1-5-9-13;/h2-3,6-7,15H,1,4-5,8-9H2,(H2,14,16);1H
InChIKeyLUNLZPCYDPIXLO-UHFFFAOYSA-N
MW251.76 g/mol
LogP2.90
Rot. Bonds

About spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride

spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride (PubChem CID 67568659) has the molecular formula C13H18ClN3 and a molecular weight of 251.76 g/mol. Its IUPAC name is spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride.

Molecular Properties

Compound Namespiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
PubChem CID67568659
Molecular FormulaC13H18ClN3
Molecular Weight251.76 g/mol
Exact Mass251.12
IUPAC Namespiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride
SMILESCl.NC1=NC2(CCCCC2)Nc2ccccc21
InChIInChI=1S/C13H17N3.ClH/c14-12-10-6-2-3-7-11(10)15-13(16-12)8-4-1-5-9-13;/h2-3,6-7,15H,1,4-5,8-9H2,(H2,14,16);1H
InChIKeyLUNLZPCYDPIXLO-UHFFFAOYSA-N
XLogP2.90
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride?
The IUPAC name of spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride (CID 67568659) is spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride.
What is the SMILES notation for spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride?
The canonical SMILES for spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride is Cl.NC1=NC2(CCCCC2)Nc2ccccc21.
What is the InChIKey of spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride?
The InChIKey is LUNLZPCYDPIXLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3.ClH/c14-12-10-6-2-3-7-11(10)15-13(16-12)8-4-1-5-9-13;/h2-3,6-7,15H,1,4-5,8-9H2,(H2,14,16);1H.
What are the key properties of spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride?
spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride has a molecular weight of 251.76 g/mol, XLogP of 2.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1H-quinazoline-2,1'-cyclohexane]-4-amine;hydrochloride is sourced from PubChem (CID 67568659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).