N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine

C15H23N3 — CID 81424418

IUPACN-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
SMILESCCNCC1CCc2nc(C3CCC3)ncc2C1
InChIInChI=1S/C15H23N3/c1-2-16-9-11-6-7-14-13(8-11)10-17-15(18-14)12-4-3-5-12/h10-12,16H,2-9H2,1H3
InChIKeyIDYISSPRXHYHHS-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.46
Rot. Bonds4

About N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine

N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine (PubChem CID 81424418) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
PubChem CID81424418
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC NameN-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
SMILESCCNCC1CCc2nc(C3CCC3)ncc2C1
InChIInChI=1S/C15H23N3/c1-2-16-9-11-6-7-14-13(8-11)10-17-15(18-14)12-4-3-5-12/h10-12,16H,2-9H2,1H3
InChIKeyIDYISSPRXHYHHS-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
N-[(2-cyclohexyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]cyclopropanamine
CID 81424268
N-[(2-cyclopropyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-2-amine
CID 81425998
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424582
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
N-[[2-(methylsulfonylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425987
N-[[2-(2-bromophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424942
N-[[2-(5-chloro-2-pyridinyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424580
N-[[2-(3-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425515
2-(3-ethylcyclohexyl)-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid
CID 81424540
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 103150835

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine (CID 81424418) is N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine is CCNCC1CCc2nc(C3CCC3)ncc2C1.
What is the InChIKey of N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
The InChIKey is IDYISSPRXHYHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-16-9-11-6-7-14-13(8-11)10-17-15(18-14)12-4-3-5-12/h10-12,16H,2-9H2,1H3.
What are the key properties of N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine?
N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine has a molecular weight of 245.37 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine is sourced from PubChem (CID 81424418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).