4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine

C17H27N5 — CID 46881970

IUPAC4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine
SMILESNc1nc(N2CCNCC2)c2c(n1)C1(CCCCC1)CCC2
InChIInChI=1S/C17H27N5/c18-16-20-14-13(15(21-16)22-11-9-19-10-12-22)5-4-8-17(14)6-2-1-3-7-17/h19H,1-12H2,(H2,18,20,21)
InChIKeyIBHXJPGHTAGSCB-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.01
Rot. Bonds1

About 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine

4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine (PubChem CID 46881970) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine.

Molecular Properties

Compound Name4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine
PubChem CID46881970
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine
SMILESNc1nc(N2CCNCC2)c2c(n1)C1(CCCCC1)CCC2
InChIInChI=1S/C17H27N5/c18-16-20-14-13(15(21-16)22-11-9-19-10-12-22)5-4-8-17(14)6-2-1-3-7-17/h19H,1-12H2,(H2,18,20,21)
InChIKeyIBHXJPGHTAGSCB-UHFFFAOYSA-N
XLogP2.01
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine?
The IUPAC name of 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine (CID 46881970) is 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine.
What is the SMILES notation for 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine?
The canonical SMILES for 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine is Nc1nc(N2CCNCC2)c2c(n1)C1(CCCCC1)CCC2.
What is the InChIKey of 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine?
The InChIKey is IBHXJPGHTAGSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c18-16-20-14-13(15(21-16)22-11-9-19-10-12-22)5-4-8-17(14)6-2-1-3-7-17/h19H,1-12H2,(H2,18,20,21).
What are the key properties of 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine?
4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine has a molecular weight of 301.44 g/mol, XLogP of 2.01, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylspiro[6,7-dihydro-5H-quinazoline-8,1'-cyclohexane]-2-amine is sourced from PubChem (CID 46881970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).