6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one

C17H25NO — CID 116574742

IUPAC6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
SMILESCC(C)(CCN)CCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H25NO/c1-17(2,10-11-18)9-8-16(19)15-12-14(15)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3
InChIKeyFSQGIHZBODUBCN-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.51
Rot. Bonds7

About 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one

6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one (PubChem CID 116574742) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
PubChem CID116574742
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one
SMILESCC(C)(CCN)CCC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H25NO/c1-17(2,10-11-18)9-8-16(19)15-12-14(15)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3
InChIKeyFSQGIHZBODUBCN-UHFFFAOYSA-N
XLogP3.51
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-1-(2-phenylcyclopropyl)propan-1-one
CID 116561052
2-(tert-butylamino)-1-(2-phenylcyclopropyl)ethanone
CID 116588801
3-methylsulfonyl-1-(2-phenylcyclopropyl)propan-1-one
CID 114969559
2-[(2-methylpropan-2-yl)oxy]-1-(2-phenylcyclopropyl)ethanone
CID 105134784
2-chloro-1-[(1S,2R)-2-phenylcyclopropyl]ethanone
CID 164769669
methyl 3-oxo-3-[(1R,2R)-2-phenylcyclopropyl]propanoate
CID 101155586
2,2-dimethyl-1-(2-phenylcyclopropyl)propan-1-one
CID 76612897
4-ethylsulfonyl-1-(2-phenylcyclopropyl)butan-1-one
CID 114974523
ethane;2-phenylcyclopropane-1-carboxylic acid
CID 91570346
3-dimethoxyphosphoryl-1-[(1S,2S)-2-phenylcyclopropyl]propan-1-one
CID 10708009
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one?
The IUPAC name of 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one (CID 116574742) is 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one.
What is the SMILES notation for 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one?
The canonical SMILES for 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one is CC(C)(CCN)CCC(=O)C1CC1c1ccccc1.
What is the InChIKey of 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one?
The InChIKey is FSQGIHZBODUBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2,10-11-18)9-8-16(19)15-12-14(15)13-6-4-3-5-7-13/h3-7,14-15H,8-12,18H2,1-2H3.
What are the key properties of 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one?
6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-1-(2-phenylcyclopropyl)hexan-1-one is sourced from PubChem (CID 116574742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).