1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

C16H27N3O — CID 116731934

IUPAC1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(C(OC)C(C)(C)C)ncc2C1
InChIInChI=1S/C16H27N3O/c1-16(2,3)14(20-5)15-18-10-12-8-11(9-17-4)6-7-13(12)19-15/h10-11,14,17H,6-9H2,1-5H3
InChIKeyFDYAICPRDAHWIP-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds4

About 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine

1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (PubChem CID 116731934) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
PubChem CID116731934
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
SMILESCNCC1CCc2nc(C(OC)C(C)(C)C)ncc2C1
InChIInChI=1S/C16H27N3O/c1-16(2,3)14(20-5)15-18-10-12-8-11(9-17-4)6-7-13(12)19-15/h10-11,14,17H,6-9H2,1-5H3
InChIKeyFDYAICPRDAHWIP-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine with MolForge

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Related Compounds

1-[2-(1-methoxybutyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116731929
1-(2-tert-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)-N-methylmethanamine
CID 81425609
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine
CID 81425640
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-methyl-1-[2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103476669
N-methyl-1-[2-(propoxymethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81425868
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424582
2-(1-methoxy-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728315
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
CID 81425998
1-[2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine
CID 116779494
N-methyl-1-[2-(4-methylsulfanylphenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 106849856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine (CID 116731934) is 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is CNCC1CCc2nc(C(OC)C(C)(C)C)ncc2C1.
What is the InChIKey of 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
The InChIKey is FDYAICPRDAHWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-16(2,3)14(20-5)15-18-10-12-8-11(9-17-4)6-7-13(12)19-15/h10-11,14,17H,6-9H2,1-5H3.
What are the key properties of 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine?
1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-2,2-dimethylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]-N-methylmethanamine is sourced from PubChem (CID 116731934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).