N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

C13H21N3 — CID 81425266

IUPACN-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESCCCc1ncc2c(n1)CCC(CNC)C2
InChIInChI=1S/C13H21N3/c1-3-4-13-15-9-11-7-10(8-14-2)5-6-12(11)16-13/h9-10,14H,3-8H2,1-2H3
InChIKeyOZBGAOPDSLHBJO-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.75
Rot. Bonds4

About N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine

N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (PubChem CID 81425266) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
PubChem CID81425266
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine
SMILESCCCc1ncc2c(n1)CCC(CNC)C2
InChIInChI=1S/C13H21N3/c1-3-4-13-15-9-11-7-10(8-14-2)5-6-12(11)16-13/h9-10,14H,3-8H2,1-2H3
InChIKeyOZBGAOPDSLHBJO-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The IUPAC name of N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine (CID 81425266) is N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine.
What is the SMILES notation for N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The canonical SMILES for N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is CCCc1ncc2c(n1)CCC(CNC)C2.
What is the InChIKey of N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
The InChIKey is OZBGAOPDSLHBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-3-4-13-15-9-11-7-10(8-14-2)5-6-12(11)16-13/h9-10,14H,3-8H2,1-2H3.
What are the key properties of N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine?
N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine has a molecular weight of 219.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-propyl-5,6,7,8-tetrahydroquinazolin-6-yl)methanamine is sourced from PubChem (CID 81425266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).