2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

C17H27N3O — CID 116776019

IUPAC2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2(OC)CCC(C)CC2)nc2c1CCCC2
InChIInChI=1S/C17H27N3O/c1-12-8-10-17(21-3,11-9-12)16-19-14-7-5-4-6-13(14)15(18-2)20-16/h12H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyKOKDKJBNGWQGML-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.45
Rot. Bonds3

About 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine

2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (PubChem CID 116776019) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
PubChem CID116776019
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
SMILESCNc1nc(C2(OC)CCC(C)CC2)nc2c1CCCC2
InChIInChI=1S/C17H27N3O/c1-12-8-10-17(21-3,11-9-12)16-19-14-7-5-4-6-13(14)15(18-2)20-16/h12H,4-11H2,1-3H3,(H,18,19,20)
InChIKeyKOKDKJBNGWQGML-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine (CID 116776019) is 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is CNc1nc(C2(OC)CCC(C)CC2)nc2c1CCCC2.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
The InChIKey is KOKDKJBNGWQGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12-8-10-17(21-3,11-9-12)16-19-14-7-5-4-6-13(14)15(18-2)20-16/h12H,4-11H2,1-3H3,(H,18,19,20).
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine?
2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine has a molecular weight of 289.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine is sourced from PubChem (CID 116776019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).