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

C16H27N3O — CID 81425640

IUPACN-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)c1ncc2c(n1)CCC(CNCC(C)C)C2
InChIInChI=1S/C16H27N3O/c1-11(2)8-17-9-13-5-6-15-14(7-13)10-18-16(19-15)12(3)20-4/h10-13,17H,5-9H2,1-4H3
InChIKeyWHPHYSSOVGZTFE-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.53
Rot. Bonds6

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

N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81425640) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine
PubChem CID81425640
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine
SMILESCOC(C)c1ncc2c(n1)CCC(CNCC(C)C)C2
InChIInChI=1S/C16H27N3O/c1-11(2)8-17-9-13-5-6-15-14(7-13)10-18-16(19-15)12(3)20-4/h10-13,17H,5-9H2,1-4H3
InChIKeyWHPHYSSOVGZTFE-UHFFFAOYSA-N
XLogP2.53
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine (CID 81425640) is N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine is COC(C)c1ncc2c(n1)CCC(CNCC(C)C)C2.
What is the InChIKey of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WHPHYSSOVGZTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)8-17-9-13-5-6-15-14(7-13)10-18-16(19-15)12(3)20-4/h10-13,17H,5-9H2,1-4H3.
What are the key properties of N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine?
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81425640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).