1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone

C14H26N2O — CID 95588688

IUPAC1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
SMILESC[C@H](C1CC1)N(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-12(13-7-8-13)15(2)11-14(17)16-9-5-3-4-6-10-16/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyUUVRIJBBUAPFMH-GFCCVEGCSA-N
MW238.37 g/mol
LogP2.12
Rot. Bonds4

About 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone

1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone (PubChem CID 95588688) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
PubChem CID95588688
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone
SMILESC[C@H](C1CC1)N(C)CC(=O)N1CCCCCC1
InChIInChI=1S/C14H26N2O/c1-12(13-7-8-13)15(2)11-14(17)16-9-5-3-4-6-10-16/h12-13H,3-11H2,1-2H3/t12-/m1/s1
InChIKeyUUVRIJBBUAPFMH-GFCCVEGCSA-N
XLogP2.12
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[[(1S)-1-cyclopropylethyl]-methylamino]ethanone
CID 95588686
1-cyclohexyl-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 104750044
3-cyclopropyl-3-hydroxy-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 156723433
3-[cyclopropyl(1-cyclopropylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 86983873
2-[methyl-(2-oxo-2-piperidin-1-ylethyl)amino]-1-piperidin-1-ylethanone
CID 58826563
N-(2-oxo-2-piperidin-1-ylethyl)-N-propan-2-ylacetamide
CID 113158106
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
2-cyclopropyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]acetic acid
CID 62711742
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 119592997
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethyl-methylamino]ethanone
CID 60505189

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone (CID 95588688) is 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone is C[C@H](C1CC1)N(C)CC(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone?
The InChIKey is UUVRIJBBUAPFMH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N2O/c1-12(13-7-8-13)15(2)11-14(17)16-9-5-3-4-6-10-16/h12-13H,3-11H2,1-2H3/t12-/m1/s1.
What are the key properties of 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone?
1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone has a molecular weight of 238.37 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[[(1R)-1-cyclopropylethyl]-methylamino]ethanone is sourced from PubChem (CID 95588688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).