3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one

C12H24N2O — CID 83160675

IUPAC3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
SMILESCC(C)CCCN1CCCNC(C)C1=O
InChIInChI=1S/C12H24N2O/c1-10(2)6-4-8-14-9-5-7-13-11(3)12(14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyHGRLBSCGZWQFRO-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds4

About 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one

3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one (PubChem CID 83160675) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one.

Molecular Properties

Compound Name3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
PubChem CID83160675
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one
SMILESCC(C)CCCN1CCCNC(C)C1=O
InChIInChI=1S/C12H24N2O/c1-10(2)6-4-8-14-9-5-7-13-11(3)12(14)15/h10-11,13H,4-9H2,1-3H3
InChIKeyHGRLBSCGZWQFRO-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one?
The IUPAC name of 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one (CID 83160675) is 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one.
What is the SMILES notation for 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one?
The canonical SMILES for 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one is CC(C)CCCN1CCCNC(C)C1=O.
What is the InChIKey of 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one?
The InChIKey is HGRLBSCGZWQFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)6-4-8-14-9-5-7-13-11(3)12(14)15/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one?
3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-methylpentyl)-1,4-diazepan-2-one is sourced from PubChem (CID 83160675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).