2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

C17H29N3O — CID 116728342

IUPAC2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(C(CCC)OCC)ncc21
InChIInChI=1S/C17H29N3O/c1-4-8-16(21-6-3)17-19-12-13-14(18-11-5-2)9-7-10-15(13)20-17/h12,14,16,18H,4-11H2,1-3H3
InChIKeyMHDJXFUBUHOTOO-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.73
Rot. Bonds8

About 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine

2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 116728342) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID116728342
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCNC1CCCc2nc(C(CCC)OCC)ncc21
InChIInChI=1S/C17H29N3O/c1-4-8-16(21-6-3)17-19-12-13-14(18-11-5-2)9-7-10-15(13)20-17/h12,14,16,18H,4-11H2,1-3H3
InChIKeyMHDJXFUBUHOTOO-UHFFFAOYSA-N
XLogP3.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728320
2-(1-methylsulfonylethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116633138
2-[cyclopropyl(ethoxy)methyl]-N-ethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728336
N-ethyl-2-(1-methoxypropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728333
2-(1-ethoxyethyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385252
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
2-(2-ethoxyethyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 106815190
N-propyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009879
2-(3-methylcyclopentyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65414221
2-(methoxymethyl)-N-propyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385466
2-[2-(2,2-difluoroethoxy)ethyl]-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 103150233
N-propyl-2-(1H-1,2,4-triazol-5-yl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009694

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 116728342) is 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCNC1CCCc2nc(C(CCC)OCC)ncc21.
What is the InChIKey of 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is MHDJXFUBUHOTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-4-8-16(21-6-3)17-19-12-13-14(18-11-5-2)9-7-10-15(13)20-17/h12,14,16,18H,4-11H2,1-3H3.
What are the key properties of 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 291.44 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 116728342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).