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

C15H30N2O — CID 60688159

IUPAC1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
SMILESCCCCCC(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-3-4-7-10-14(2)16-13-15(18)17-11-8-5-6-9-12-17/h14,16H,3-13H2,1-2H3
InChIKeyNKVQNEVOHFANOI-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.95
Rot. Bonds7

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

1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone (PubChem CID 60688159) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
PubChem CID60688159
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
SMILESCCCCCC(C)NCC(=O)N1CCCCCC1
InChIInChI=1S/C15H30N2O/c1-3-4-7-10-14(2)16-13-15(18)17-11-8-5-6-9-12-17/h14,16H,3-13H2,1-2H3
InChIKeyNKVQNEVOHFANOI-UHFFFAOYSA-N
XLogP2.95
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
N-heptan-2-ylpiperidine-1-carboxamide
CID 115578841
N-octan-2-ylpyrrolidine-1-carboxamide
CID 56808053
(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
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
9-methyl-1-pyrrolidin-1-yltetradecan-1-one
CID 91705079
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone (CID 60688159) is 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone is CCCCCC(C)NCC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone?
The InChIKey is NKVQNEVOHFANOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-3-4-7-10-14(2)16-13-15(18)17-11-8-5-6-9-12-17/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone?
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone has a molecular weight of 254.42 g/mol, XLogP of 2.95, 7 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-(heptan-2-ylamino)ethanone is sourced from PubChem (CID 60688159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).