1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone

C13H26N2O — CID 62691599

IUPAC1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
SMILESCCC(C)CNCC(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(2)10-14-11-13(16)15-8-6-4-5-7-9-15/h12,14H,3-11H2,1-2H3
InChIKeyIVQGSYOVNRBGDV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds5

About 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone

1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone (PubChem CID 62691599) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
PubChem CID62691599
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone
SMILESCCC(C)CNCC(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-12(2)10-14-11-13(16)15-8-6-4-5-7-9-15/h12,14H,3-11H2,1-2H3
InChIKeyIVQGSYOVNRBGDV-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-hydroxy-2-methylpropyl)amino]-1-piperidin-1-ylethanone
CID 65036162
2-(2-ethylbutylamino)-1-piperidin-1-ylethanone
CID 115756524
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1-piperidin-1-yl-2-(2,3,3-trimethylbutylamino)ethanone
CID 83143576
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-[(2-oxo-2-piperidin-1-ylethyl)amino]-N-propan-2-ylacetamide
CID 43402015
1-(azepan-1-yl)-2-(3-hydroxypentylamino)ethanone
CID 113497568
3-(2-methylpentylamino)-1-piperidin-1-ylpropan-1-one
CID 112554126
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
N-carbamoyl-2-(2-methylbutylamino)acetamide
CID 62691808
3-(2-methylpentylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43203515

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone (CID 62691599) is 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone is CCC(C)CNCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone?
The InChIKey is IVQGSYOVNRBGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-12(2)10-14-11-13(16)15-8-6-4-5-7-9-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone?
1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone has a molecular weight of 226.36 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-methylbutylamino)ethanone is sourced from PubChem (CID 62691599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).