1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one

C13H26N2O2 — CID 82723078

IUPAC1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one
SMILESCC(C)CONC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-17-14-12(3)13(16)15-8-6-4-5-7-9-15/h11-12,14H,4-10H2,1-3H3
InChIKeyYVFQDNFIHUXBLY-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.95
Rot. Bonds5

About 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one

1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one (PubChem CID 82723078) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one
PubChem CID82723078
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one
SMILESCC(C)CONC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C13H26N2O2/c1-11(2)10-17-14-12(3)13(16)15-8-6-4-5-7-9-15/h11-12,14H,4-10H2,1-3H3
InChIKeyYVFQDNFIHUXBLY-UHFFFAOYSA-N
XLogP1.95
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-amino-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]acetamide
CID 93360859
1-(azocan-1-yl)-2-methylpropan-1-one
CID 17164385
2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 107852687
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one (CID 82723078) is 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one is CC(C)CONC(C)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one?
The InChIKey is YVFQDNFIHUXBLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-11(2)10-17-14-12(3)13(16)15-8-6-4-5-7-9-15/h11-12,14H,4-10H2,1-3H3.
What are the key properties of 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one?
1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one has a molecular weight of 242.36 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one is sourced from PubChem (CID 82723078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).