N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine

C15H23N3 — CID 114277273

IUPACN-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine
SMILESCC(CNC1=NCc2ccccc2N1)C(C)(C)C
InChIInChI=1S/C15H23N3/c1-11(15(2,3)4)9-16-14-17-10-12-7-5-6-8-13(12)18-14/h5-8,11H,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyCBCGJFQRCZTAPN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.24
Rot. Bonds2

About N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine

N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine (PubChem CID 114277273) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine.

Molecular Properties

Compound NameN-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine
PubChem CID114277273
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine
SMILESCC(CNC1=NCc2ccccc2N1)C(C)(C)C
InChIInChI=1S/C15H23N3/c1-11(15(2,3)4)9-16-14-17-10-12-7-5-6-8-13(12)18-14/h5-8,11H,9-10H2,1-4H3,(H2,16,17,18)
InChIKeyCBCGJFQRCZTAPN-UHFFFAOYSA-N
XLogP3.24
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine?
The IUPAC name of N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine (CID 114277273) is N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine.
What is the SMILES notation for N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine?
The canonical SMILES for N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine is CC(CNC1=NCc2ccccc2N1)C(C)(C)C.
What is the InChIKey of N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine?
The InChIKey is CBCGJFQRCZTAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(15(2,3)4)9-16-14-17-10-12-7-5-6-8-13(12)18-14/h5-8,11H,9-10H2,1-4H3,(H2,16,17,18).
What are the key properties of N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine?
N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine has a molecular weight of 245.37 g/mol, XLogP of 3.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trimethylbutyl)-1,4-dihydroquinazolin-2-amine is sourced from PubChem (CID 114277273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).