(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine

C12H19N3 — CID 83863642

IUPAC(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine
SMILESCc1nc(CN)c2c(n1)CC(C)(C)CC2
InChIInChI=1S/C12H19N3/c1-8-14-10-6-12(2,3)5-4-9(10)11(7-13)15-8/h4-7,13H2,1-3H3
InChIKeyFFPIRGDVHIEIBY-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds1

About (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine

(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine (PubChem CID 83863642) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine.

Molecular Properties

Compound Name(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine
PubChem CID83863642
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine
SMILESCc1nc(CN)c2c(n1)CC(C)(C)CC2
InChIInChI=1S/C12H19N3/c1-8-14-10-6-12(2,3)5-4-9(10)11(7-13)15-8/h4-7,13H2,1-3H3
InChIKeyFFPIRGDVHIEIBY-UHFFFAOYSA-N
XLogP1.76
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine?
The IUPAC name of (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine (CID 83863642) is (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine.
What is the SMILES notation for (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine?
The canonical SMILES for (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine is Cc1nc(CN)c2c(n1)CC(C)(C)CC2.
What is the InChIKey of (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine?
The InChIKey is FFPIRGDVHIEIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-8-14-10-6-12(2,3)5-4-9(10)11(7-13)15-8/h4-7,13H2,1-3H3.
What are the key properties of (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine?
(2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7,7-trimethyl-6,8-dihydro-5H-quinazolin-4-yl)methanamine is sourced from PubChem (CID 83863642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).