[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

C14H23N3 — CID 81425784

IUPAC[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(CC(C)C)nc2c1CC(CN)CC2
InChIInChI=1S/C14H23N3/c1-9(2)6-14-16-10(3)12-7-11(8-15)4-5-13(12)17-14/h9,11H,4-8,15H2,1-3H3
InChIKeyHDXMRHLOOXGQFX-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.05
Rot. Bonds3

About [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine

[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (PubChem CID 81425784) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
PubChem CID81425784
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
SMILESCc1nc(CC(C)C)nc2c1CC(CN)CC2
InChIInChI=1S/C14H23N3/c1-9(2)6-14-16-10(3)12-7-11(8-15)4-5-13(12)17-14/h9,11H,4-8,15H2,1-3H3
InChIKeyHDXMRHLOOXGQFX-UHFFFAOYSA-N
XLogP2.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The IUPAC name of [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine (CID 81425784) is [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine.
What is the SMILES notation for [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The canonical SMILES for [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is Cc1nc(CC(C)C)nc2c1CC(CN)CC2.
What is the InChIKey of [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
The InChIKey is HDXMRHLOOXGQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3/c1-9(2)6-14-16-10(3)12-7-11(8-15)4-5-13(12)17-14/h9,11H,4-8,15H2,1-3H3.
What are the key properties of [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine?
[4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine has a molecular weight of 233.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine is sourced from PubChem (CID 81425784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).