N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine

C12H19N3 — CID 81425753

IUPACN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
SMILESCCCNCC1CCc2ncncc2C1
InChIInChI=1S/C12H19N3/c1-2-5-13-7-10-3-4-12-11(6-10)8-14-9-15-12/h8-10,13H,2-7H2,1H3
InChIKeyCEKPXCLHWSBFNO-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.58
Rot. Bonds4

About N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine

N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine (PubChem CID 81425753) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
PubChem CID81425753
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine
SMILESCCCNCC1CCc2ncncc2C1
InChIInChI=1S/C12H19N3/c1-2-5-13-7-10-3-4-12-11(6-10)8-14-9-15-12/h8-10,13H,2-7H2,1H3
InChIKeyCEKPXCLHWSBFNO-UHFFFAOYSA-N
XLogP1.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)cyclopropanamine
CID 81424264
N-[(2-pyrimidin-4-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
CID 81424586
N-[(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]propan-1-amine
CID 81425625
2-methoxy-N-[[2-(propylsulfanylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81424448
6-(2-methylpropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 170260134
N-[[2-(4-methylcyclohexyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425156
N-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425395
N-[[2-(cyclopropylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methyl]ethanamine
CID 81425282
N-[(2-cyclobutyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424418
N-[(2-butan-2-yl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]ethanamine
CID 81424582
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
CID 81425266
N-[(2-butyl-5,6,7,8-tetrahydroquinazolin-6-yl)methyl]-2-methylpropan-1-amine
CID 81425529

Frequently Asked Questions

What is the IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine?
The IUPAC name of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine (CID 81425753) is N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine?
The canonical SMILES for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine is CCCNCC1CCc2ncncc2C1.
What is the InChIKey of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine?
The InChIKey is CEKPXCLHWSBFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-2-5-13-7-10-3-4-12-11(6-10)8-14-9-15-12/h8-10,13H,2-7H2,1H3.
What are the key properties of N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine?
N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine has a molecular weight of 205.30 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6,7,8-tetrahydroquinazolin-6-ylmethyl)propan-1-amine is sourced from PubChem (CID 81425753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).