1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one

C16H30N2O — CID 79358748

IUPAC1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one
SMILESCC(NC1C(C)(C)C1(C)C)C(=O)N1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-12(17-14-15(2,3)16(14,4)5)13(19)18-10-8-6-7-9-11-18/h12,14,17H,6-11H2,1-5H3
InChIKeyHHXHITFEOBDBBC-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.80
Rot. Bonds3

About 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one

1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one (PubChem CID 79358748) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one
PubChem CID79358748
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one
SMILESCC(NC1C(C)(C)C1(C)C)C(=O)N1CCCCCC1
InChIInChI=1S/C16H30N2O/c1-12(17-14-15(2,3)16(14,4)5)13(19)18-10-8-6-7-9-11-18/h12,14,17H,6-11H2,1-5H3
InChIKeyHHXHITFEOBDBBC-UHFFFAOYSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311
2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
CID 80705947
1-[(1-oxo-1-piperidin-1-ylpropan-2-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113408761
2-[(2-methylcyclopropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 62397935
2-[(3,5-dimethylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 64753004
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
2-[(4,4-dimethylthian-3-yl)amino]-1-piperidin-1-ylpropan-1-one
CID 79947942
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)cyclopentanecarboxamide
CID 42702289

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one (CID 79358748) is 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one is CC(NC1C(C)(C)C1(C)C)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one?
The InChIKey is HHXHITFEOBDBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(17-14-15(2,3)16(14,4)5)13(19)18-10-8-6-7-9-11-18/h12,14,17H,6-11H2,1-5H3.
What are the key properties of 1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one?
1-(azepan-1-yl)-2-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one has a molecular weight of 266.43 g/mol, XLogP of 2.80, 3 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-[(2,2,3,3-tetramethylcyclopropyl)amino]propan-1-one is sourced from PubChem (CID 79358748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).