1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane

C15H24N2 — CID 765577

IUPAC1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane
SMILESCc1ccc(CN2CCCN(C)CC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-13-5-6-15(14(2)11-13)12-17-8-4-7-16(3)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyGUPLVXKCZPJBAU-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.44
Rot. Bonds2

About 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane

1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane (PubChem CID 765577) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane
PubChem CID765577
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane
SMILESCc1ccc(CN2CCCN(C)CC2)c(C)c1
InChIInChI=1S/C15H24N2/c1-13-5-6-15(14(2)11-13)12-17-8-4-7-16(3)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyGUPLVXKCZPJBAU-UHFFFAOYSA-N
XLogP2.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane (CID 765577) is 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane is Cc1ccc(CN2CCCN(C)CC2)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane?
The InChIKey is GUPLVXKCZPJBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-13-5-6-15(14(2)11-13)12-17-8-4-7-16(3)9-10-17/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane?
1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane has a molecular weight of 232.37 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-4-methyl-1,4-diazepane is sourced from PubChem (CID 765577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).