5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one

C13H25NO — CID 116614733

IUPAC5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one
SMILESCC(C)(C)CC(N)CC(=O)CCC1CC1
InChIInChI=1S/C13H25NO/c1-13(2,3)9-11(14)8-12(15)7-6-10-4-5-10/h10-11H,4-9,14H2,1-3H3
InChIKeyAQBHOVWPMMMFCX-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.90
Rot. Bonds6

About 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one

5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one (PubChem CID 116614733) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one.

Molecular Properties

Compound Name5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one
PubChem CID116614733
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one
SMILESCC(C)(C)CC(N)CC(=O)CCC1CC1
InChIInChI=1S/C13H25NO/c1-13(2,3)9-11(14)8-12(15)7-6-10-4-5-10/h10-11H,4-9,14H2,1-3H3
InChIKeyAQBHOVWPMMMFCX-UHFFFAOYSA-N
XLogP2.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-2,9,9-trimethyldec-1-en-5-one
CID 114478091
3-amino-N-cyclopropyl-N-(cyclopropylmethyl)-5,5-dimethylhexanamide
CID 113497065
3-amino-N-(cyclopropylmethyl)-5,5-dimethyl-N-propylhexanamide
CID 113496982
3-amino-5,5-dimethyl-N-[2-(1-methylpiperidin-4-yl)ethyl]hexanamide
CID 114515744
3-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one
CID 107217001
(4,4-dimethylcyclohexyl) 3-amino-5,5-dimethylhexanoate
CID 114341466
1-cyclopropyl-4-hydroxy-5,5-dimethylhexan-3-one
CID 103456307
tert-butyl (2S)-2-amino-3-cyclopropylpropanoate
CID 12018345
1-(4-propan-2-ylcyclohexyl)pentan-3-one
CID 155707148
5-(2-cyclopropylethyl)-2,2,7,7-tetramethyloctan-4-one
CID 59143481
4-amino-6,6-dimethyl-1-(2,4,6-trimethylphenyl)heptan-2-one
CID 116614718
3-cyclopropylpropanamide
CID 53414720

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one?
The IUPAC name of 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one (CID 116614733) is 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one.
What is the SMILES notation for 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one?
The canonical SMILES for 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one is CC(C)(C)CC(N)CC(=O)CCC1CC1.
What is the InChIKey of 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one?
The InChIKey is AQBHOVWPMMMFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2,3)9-11(14)8-12(15)7-6-10-4-5-10/h10-11H,4-9,14H2,1-3H3.
What are the key properties of 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one?
5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one has a molecular weight of 211.35 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-cyclopropyl-7,7-dimethyloctan-3-one is sourced from PubChem (CID 116614733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).