N-cyclohexylquinazolin-4-amine

C14H17N3 — CID 13231190

IUPACN-cyclohexylquinazolin-4-amine
SMILESc1ccc2c(NC3CCCCC3)ncnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17)
InChIKeyCIFOBGKTSPXVQX-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.37
Rot. Bonds2

About N-cyclohexylquinazolin-4-amine

N-cyclohexylquinazolin-4-amine (PubChem CID 13231190) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-cyclohexylquinazolin-4-amine.

Molecular Properties

Compound NameN-cyclohexylquinazolin-4-amine
PubChem CID13231190
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC NameN-cyclohexylquinazolin-4-amine
SMILESc1ccc2c(NC3CCCCC3)ncnc2c1
InChIInChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17)
InChIKeyCIFOBGKTSPXVQX-UHFFFAOYSA-N
XLogP3.37
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexylquinazolin-4-amine?
The IUPAC name of N-cyclohexylquinazolin-4-amine (CID 13231190) is N-cyclohexylquinazolin-4-amine.
What is the SMILES notation for N-cyclohexylquinazolin-4-amine?
The canonical SMILES for N-cyclohexylquinazolin-4-amine is c1ccc2c(NC3CCCCC3)ncnc2c1.
What is the InChIKey of N-cyclohexylquinazolin-4-amine?
The InChIKey is CIFOBGKTSPXVQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-6-11(7-3-1)17-14-12-8-4-5-9-13(12)15-10-16-14/h4-5,8-11H,1-3,6-7H2,(H,15,16,17).
What are the key properties of N-cyclohexylquinazolin-4-amine?
N-cyclohexylquinazolin-4-amine has a molecular weight of 227.31 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylquinazolin-4-amine is sourced from PubChem (CID 13231190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).