2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide

C15H29N3O — CID 79878300

IUPAC2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCCCC1NC(=O)CN1CCCNCC1
InChIInChI=1S/C15H29N3O/c1-15(2)7-4-3-6-13(15)17-14(19)12-18-10-5-8-16-9-11-18/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyJSMMFYPTWLNZNZ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.37
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide

2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide (PubChem CID 79878300) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
PubChem CID79878300
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide
SMILESCC1(C)CCCCC1NC(=O)CN1CCCNCC1
InChIInChI=1S/C15H29N3O/c1-15(2)7-4-3-6-13(15)17-14(19)12-18-10-5-8-16-9-11-18/h13,16H,3-12H2,1-2H3,(H,17,19)
InChIKeyJSMMFYPTWLNZNZ-UHFFFAOYSA-N
XLogP1.37
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)acetamide
CID 62837382
2-(1,4-diazepan-1-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 62838906
N-(2,2-dimethylcyclohexyl)-2-pyrrolidin-3-ylacetamide
CID 79878206
N-(cyclopentylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162551
N-[(1S,2S)-2-methylcyclohexyl]-2-piperazin-1-ylacetamide
CID 28881157
2-(1,4-diazepan-1-yl)-N-[2-(hydroxymethyl)cyclopentyl]acetamide
CID 106361265
2-(1,4-diazepan-1-yl)-N-(2-oxoazepan-3-yl)acetamide
CID 62837563
N-(cyclopropylcarbamoyl)-2-(1,4-diazepan-1-yl)acetamide
CID 43162505
1-[[2-(1,4-diazepan-1-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 55121397
N-[(1R)-1-cyclohexylethyl]-2-(1,4-diazepan-1-yl)acetamide
CID 81386070
N-(1-cyclohexylethyl)-2-(1,4-diazepan-1-yl)acetamide
CID 55121307
2-[4-[(2,2-dimethylcyclohexyl)carbamoyl]piperazin-1-yl]acetic acid
CID 79870364

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide (CID 79878300) is 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide is CC1(C)CCCCC1NC(=O)CN1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide?
The InChIKey is JSMMFYPTWLNZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-15(2)7-4-3-6-13(15)17-14(19)12-18-10-5-8-16-9-11-18/h13,16H,3-12H2,1-2H3,(H,17,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-(2,2-dimethylcyclohexyl)acetamide is sourced from PubChem (CID 79878300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).