4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one

C14H25N3O2 — CID 102888929

IUPAC4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCC1CCCC(N)(C(=O)N2CCCN(C)C(=O)C2)C1
InChIInChI=1S/C14H25N3O2/c1-11-5-3-6-14(15,9-11)13(19)17-8-4-7-16(2)12(18)10-17/h11H,3-10,15H2,1-2H3
InChIKeyCDIPZPVGUWCJHL-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.58
Rot. Bonds1

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

4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888929) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888929
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCC1CCCC(N)(C(=O)N2CCCN(C)C(=O)C2)C1
InChIInChI=1S/C14H25N3O2/c1-11-5-3-6-14(15,9-11)13(19)17-8-4-7-16(2)12(18)10-17/h11H,3-10,15H2,1-2H3
InChIKeyCDIPZPVGUWCJHL-UHFFFAOYSA-N
XLogP0.58
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-aminocyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888896
(1-amino-3-methylcyclohexyl)-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)methanone
CID 64552137
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
CID 64555062
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
(1-amino-3-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112625249

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one (CID 102888929) is 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one is CC1CCCC(N)(C(=O)N2CCCN(C)C(=O)C2)C1.
What is the InChIKey of 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is CDIPZPVGUWCJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11-5-3-6-14(15,9-11)13(19)17-8-4-7-16(2)12(18)10-17/h11H,3-10,15H2,1-2H3.
What are the key properties of 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one?
4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 267.37 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).