1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone

C13H26N2O — CID 43179556

IUPAC1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
SMILESCCCC(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-8-12(2)14-11-13(16)15-9-6-4-5-7-10-15/h12,14H,3-11H2,1-2H3
InChIKeyZVMQHGABZHIYGM-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds5

About 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone

1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone (PubChem CID 43179556) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
PubChem CID43179556
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
SMILESCCCC(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O/c1-3-8-12(2)14-11-13(16)15-9-6-4-5-7-10-15/h12,14H,3-11H2,1-2H3
InChIKeyZVMQHGABZHIYGM-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695646
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
N-pentan-2-ylazepane-1-carboxamide
CID 115583076
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone (CID 43179556) is 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone is CCCC(C)NCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone?
The InChIKey is ZVMQHGABZHIYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-8-12(2)14-11-13(16)15-9-6-4-5-7-10-15/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone?
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone has a molecular weight of 226.36 g/mol, XLogP of 2.17, 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-(pentan-2-ylamino)ethanone is sourced from PubChem (CID 43179556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).