1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one

C14H28N2O2 — CID 79248979

IUPAC1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
SMILESCC(NC(CO)C(C)C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)13(10-17)15-12(3)14(18)16-8-6-4-5-7-9-16/h11-13,15,17H,4-10H2,1-3H3
InChIKeyPJFFKKJDGTYPLB-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.38
Rot. Bonds5

About 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one

1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one (PubChem CID 79248979) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
PubChem CID79248979
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
SMILESCC(NC(CO)C(C)C)C(=O)N1CCCCCC1
InChIInChI=1S/C14H28N2O2/c1-11(2)13(10-17)15-12(3)14(18)16-8-6-4-5-7-9-16/h11-13,15,17H,4-10H2,1-3H3
InChIKeyPJFFKKJDGTYPLB-UHFFFAOYSA-N
XLogP1.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one with MolForge

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Related Compounds

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 54959087
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-(2,3-dihydroxypropylamino)-1-piperidin-1-ylpropan-1-one
CID 66178031
methyl 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 43386372
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one (CID 79248979) is 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one is CC(NC(CO)C(C)C)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one?
The InChIKey is PJFFKKJDGTYPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-11(2)13(10-17)15-12(3)14(18)16-8-6-4-5-7-9-16/h11-13,15,17H,4-10H2,1-3H3.
What are the key properties of 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one?
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one is sourced from PubChem (CID 79248979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).