9-amino-7,7-dimethyl-1-phenylnonan-4-one

C17H27NO — CID 116574757

IUPAC9-amino-7,7-dimethyl-1-phenylnonan-4-one
SMILESCC(C)(CCN)CCC(=O)CCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-17(2,13-14-18)12-11-16(19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,18H2,1-2H3
InChIKeyMGHKKDCOZAGJML-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.73
Rot. Bonds9

About 9-amino-7,7-dimethyl-1-phenylnonan-4-one

9-amino-7,7-dimethyl-1-phenylnonan-4-one (PubChem CID 116574757) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 9-amino-7,7-dimethyl-1-phenylnonan-4-one.

Molecular Properties

Compound Name9-amino-7,7-dimethyl-1-phenylnonan-4-one
PubChem CID116574757
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name9-amino-7,7-dimethyl-1-phenylnonan-4-one
SMILESCC(C)(CCN)CCC(=O)CCCc1ccccc1
InChIInChI=1S/C17H27NO/c1-17(2,13-14-18)12-11-16(19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,18H2,1-2H3
InChIKeyMGHKKDCOZAGJML-UHFFFAOYSA-N
XLogP3.73
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-5,5-dimethyl-1-phenylheptan-2-one
CID 116574700
7,7-dimethyl-1-phenyloctan-4-one
CID 105093400
6-amino-4,4-dimethyl-N-(3-phenylpropyl)hexanamide
CID 65290908
8-amino-1-phenyloctan-4-one
CID 116571907
10-amino-8,8-dimethyldecan-5-one
CID 116574751
1-(methylamino)-7-phenylheptan-4-one
CID 116555547
1,9-diphenylnonan-5-one
CID 23467830
7-amino-1-(2-fluorophenyl)-5,5-dimethylheptan-2-one
CID 116574862
8-amino-6,6-dimethyl-1-thiophen-2-yloctan-3-one
CID 116574838
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
1-methylalumanyl-7-phenylheptan-4-one
CID 173147112
methyl 3-oxo-6-phenylhexanoate
CID 12701554

Frequently Asked Questions

What is the IUPAC name of 9-amino-7,7-dimethyl-1-phenylnonan-4-one?
The IUPAC name of 9-amino-7,7-dimethyl-1-phenylnonan-4-one (CID 116574757) is 9-amino-7,7-dimethyl-1-phenylnonan-4-one.
What is the SMILES notation for 9-amino-7,7-dimethyl-1-phenylnonan-4-one?
The canonical SMILES for 9-amino-7,7-dimethyl-1-phenylnonan-4-one is CC(C)(CCN)CCC(=O)CCCc1ccccc1.
What is the InChIKey of 9-amino-7,7-dimethyl-1-phenylnonan-4-one?
The InChIKey is MGHKKDCOZAGJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-17(2,13-14-18)12-11-16(19)10-6-9-15-7-4-3-5-8-15/h3-5,7-8H,6,9-14,18H2,1-2H3.
What are the key properties of 9-amino-7,7-dimethyl-1-phenylnonan-4-one?
9-amino-7,7-dimethyl-1-phenylnonan-4-one has a molecular weight of 261.41 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7,7-dimethyl-1-phenylnonan-4-one is sourced from PubChem (CID 116574757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).