2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide

C9H19N3O — CID 23090231

IUPAC2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CNCCCN1
InChIInChI=1S/C9H19N3O/c1-12(2)9(13)6-8-7-10-4-3-5-11-8/h8,10-11H,3-7H2,1-2H3
InChIKeyWRFLWZHQKWEEAM-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.58
Rot. Bonds2

About 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide

2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide (PubChem CID 23090231) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide
PubChem CID23090231
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CNCCCN1
InChIInChI=1S/C9H19N3O/c1-12(2)9(13)6-8-7-10-4-3-5-11-8/h8,10-11H,3-7H2,1-2H3
InChIKeyWRFLWZHQKWEEAM-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
2-[(2R)-azetidin-2-yl]-N,N-dimethylacetamide;hydrochloride
CID 118994739
1,4,8,11-tetrazacyclotetradec-2-ylmethanol;tetrahydrobromide
CID 19755995
N,N-dimethyl-2-(3-methylpiperidin-2-yl)acetamide
CID 107147512
N-(cyclobutylmethyl)-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119770691
N-(cyclobutylmethyl)-N-methyl-2-piperidin-2-ylacetamide
CID 115160515
N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
CID 122080444
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
N-cycloheptyl-N-methyl-2-pyrrolidin-2-ylacetamide
CID 61370216
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
N-methyl-N-pentan-3-yl-2-pyrrolidin-2-ylacetamide
CID 61371384
N-methyl-N-(2-methylpropyl)-2-pyrrolidin-2-ylacetamide
CID 61372375

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide (CID 23090231) is 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide is CN(C)C(=O)CC1CNCCCN1.
What is the InChIKey of 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide?
The InChIKey is WRFLWZHQKWEEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(2)9(13)6-8-7-10-4-3-5-11-8/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide?
2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide has a molecular weight of 185.27 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 23090231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).