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

C15H25N3O — CID 116728320

IUPAC2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCC(OCC)c1ncc2c(n1)CCCC2NC
InChIInChI=1S/C15H25N3O/c1-4-7-14(19-5-2)15-17-10-11-12(16-3)8-6-9-13(11)18-15/h10,12,14,16H,4-9H2,1-3H3
InChIKeyXMOZBUCJZKCAOB-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.95
Rot. Bonds6

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

2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (PubChem CID 116728320) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.

Molecular Properties

Compound Name2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
PubChem CID116728320
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
SMILESCCCC(OCC)c1ncc2c(n1)CCCC2NC
InChIInChI=1S/C15H25N3O/c1-4-7-14(19-5-2)15-17-10-11-12(16-3)8-6-9-13(11)18-15/h10,12,14,16H,4-9H2,1-3H3
InChIKeyXMOZBUCJZKCAOB-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethoxybutyl)-N-propyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728342
2-(1-methoxy-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728315
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,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
2-N,2-N-diethyl-5-N-methyl-5,6,7,8-tetrahydroquinazoline-2,5-diamine
CID 62009869
2-ethyl-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385123
2-(1-ethoxyethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 64533818
N-methyl-2-(propan-2-ylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65131517
2-(3-ethoxyphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009283

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The IUPAC name of 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine (CID 116728320) is 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine.
What is the SMILES notation for 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The canonical SMILES for 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is CCCC(OCC)c1ncc2c(n1)CCCC2NC.
What is the InChIKey of 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
The InChIKey is XMOZBUCJZKCAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-7-14(19-5-2)15-17-10-11-12(16-3)8-6-9-13(11)18-15/h10,12,14,16H,4-9H2,1-3H3.
What are the key properties of 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine?
2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine has a molecular weight of 263.38 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxybutyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine is sourced from PubChem (CID 116728320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).