N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine

C17H29N3O — CID 81425688

IUPACN-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)c1nc(C)c2c(n1)CCC(CNC(C)(C)C)C2
InChIInChI=1S/C17H29N3O/c1-11-14-9-13(10-18-17(3,4)5)7-8-15(14)20-16(19-11)12(2)21-6/h12-13,18H,7-10H2,1-6H3
InChIKeyCTGYRBARDCGFOO-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.99
Rot. Bonds4

About N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine (PubChem CID 81425688) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine
PubChem CID81425688
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine
SMILESCOC(C)c1nc(C)c2c(n1)CCC(CNC(C)(C)C)C2
InChIInChI=1S/C17H29N3O/c1-11-14-9-13(10-18-17(3,4)5)7-8-15(14)20-16(19-11)12(2)21-6/h12-13,18H,7-10H2,1-6H3
InChIKeyCTGYRBARDCGFOO-UHFFFAOYSA-N
XLogP2.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine (CID 81425688) is N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine is COC(C)c1nc(C)c2c(n1)CCC(CNC(C)(C)C)C2.
What is the InChIKey of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is CTGYRBARDCGFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-11-14-9-13(10-18-17(3,4)5)7-8-15(14)20-16(19-11)12(2)21-6/h12-13,18H,7-10H2,1-6H3.
What are the key properties of N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 291.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-4-methyl-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 81425688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).