1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane

C15H24N2 — CID 4671069

IUPAC1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane
SMILESCCCN1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C15H24N2/c1-3-9-16-10-4-11-17(13-16)12-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyITWPPGAUEUEXSV-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.87
Rot. Bonds4

About 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane

1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane (PubChem CID 4671069) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane
PubChem CID4671069
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane
SMILESCCCN1CCCN(Cc2ccc(C)cc2)C1
InChIInChI=1S/C15H24N2/c1-3-9-16-10-4-11-17(13-16)12-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3
InChIKeyITWPPGAUEUEXSV-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane?
The IUPAC name of 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane (CID 4671069) is 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane is CCCN1CCCN(Cc2ccc(C)cc2)C1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane?
The InChIKey is ITWPPGAUEUEXSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-9-16-10-4-11-17(13-16)12-15-7-5-14(2)6-8-15/h5-8H,3-4,9-13H2,1-2H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane?
1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane has a molecular weight of 232.37 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-3-propyl-1,3-diazinane is sourced from PubChem (CID 4671069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).