2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide

C13H27N3O — CID 113361714

IUPAC2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-4-16(5-2)13(17)11-15(3)12-7-6-9-14-10-8-12/h12,14H,4-11H2,1-3H3
InChIKeyGKBPTONWSVJFME-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.93
Rot. Bonds5

About 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide

2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide (PubChem CID 113361714) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
PubChem CID113361714
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)C1CCCNCC1
InChIInChI=1S/C13H27N3O/c1-4-16(5-2)13(17)11-15(3)12-7-6-9-14-10-8-12/h12,14H,4-11H2,1-3H3
InChIKeyGKBPTONWSVJFME-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azepan-4-yl(methyl)amino]-N,N-bis(prop-2-enyl)acetamide
CID 104979519
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[methyl(piperidin-4-yl)amino]-N,N-bis(2-methylpropyl)acetamide;hydrochloride
CID 119912437
N-cyclopropyl-N-ethyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 55249128
N'-acetyl-2-[azepan-4-yl(methyl)amino]acetohydrazide
CID 107173328
N-cyclohexyl-N-ethyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119923071
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[azepan-4-yl(pyridin-2-ylmethyl)amino]-N,N-diethylacetamide
CID 120869661
2-[azepan-4-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 104979461
N-[2-(diethylamino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 54872869
2-[azepan-4-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 104979554
2-[azepan-4-yl(methyl)amino]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 104979626

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide (CID 113361714) is 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide?
The InChIKey is GKBPTONWSVJFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-16(5-2)13(17)11-15(3)12-7-6-9-14-10-8-12/h12,14H,4-11H2,1-3H3.
What are the key properties of 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide?
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide has a molecular weight of 241.38 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide is sourced from PubChem (CID 113361714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).