2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine

C17H27N3O — CID 116775320

IUPAC2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCOC1(c2ncc3c(n2)CCCC3N)CCC(C)(C)CC1
InChIInChI=1S/C17H27N3O/c1-16(2)7-9-17(21-3,10-8-16)15-19-11-12-13(18)5-4-6-14(12)20-15/h11,13H,4-10,18H2,1-3H3
InChIKeySXCWGUJGMGWVOV-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.25
Rot. Bonds2

About 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine

2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 116775320) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID116775320
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCOC1(c2ncc3c(n2)CCCC3N)CCC(C)(C)CC1
InChIInChI=1S/C17H27N3O/c1-16(2)7-9-17(21-3,10-8-16)15-19-11-12-13(18)5-4-6-14(12)20-15/h11,13H,4-10,18H2,1-3H3
InChIKeySXCWGUJGMGWVOV-UHFFFAOYSA-N
XLogP3.25
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine (CID 116775320) is 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine is COC1(c2ncc3c(n2)CCCC3N)CCC(C)(C)CC1.
What is the InChIKey of 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is SXCWGUJGMGWVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-16(2)7-9-17(21-3,10-8-16)15-19-11-12-13(18)5-4-6-14(12)20-15/h11,13H,4-10,18H2,1-3H3.
What are the key properties of 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 289.42 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 116775320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).