6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide

C17H33N3O — CID 65472003

IUPAC6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
SMILESCN1C2CCCC1CC(NC(=O)CCC(C)(C)CCN)C2
InChIInChI=1S/C17H33N3O/c1-17(2,9-10-18)8-7-16(21)19-13-11-14-5-4-6-15(12-13)20(14)3/h13-15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyBTYYIVFIDPAGBP-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.27
Rot. Bonds6

About 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide

6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide (PubChem CID 65472003) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide.

Molecular Properties

Compound Name6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
PubChem CID65472003
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide
SMILESCN1C2CCCC1CC(NC(=O)CCC(C)(C)CCN)C2
InChIInChI=1S/C17H33N3O/c1-17(2,9-10-18)8-7-16(21)19-13-11-14-5-4-6-15(12-13)20(14)3/h13-15H,4-12,18H2,1-3H3,(H,19,21)
InChIKeyBTYYIVFIDPAGBP-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-(3,5-dimethylcyclohexyl)-4,4-dimethylhexanamide
CID 65291109
6-amino-4,4-dimethyl-N-(oxan-3-yl)hexanamide
CID 65291525
cis-(1R,3S)-3-[(6-amino-4,4-dimethylhexanoyl)amino]cyclopentane-1-carboxylic acid
CID 106322969
4-[(6-amino-4,4-dimethylhexanoyl)amino]cyclohexane-1-carboxamide
CID 65290886
6-amino-N-(1-ethylpiperidin-3-yl)-4,4-dimethylhexanamide
CID 65292402
3-amino-2-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 65471987
2-(azetidin-3-yl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)acetamide
CID 65471237
N-(2-aminoethyl)-N'-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)oxamide
CID 65471203
6-amino-4,4-dimethyl-N-(thiolan-3-yl)hexanamide
CID 103063106
6-amino-N-[(1S)-1-cycloheptylethyl]-4,4-dimethylhexanamide
CID 81393462
6-amino-N-[4-(cyclopropylamino)-4-oxobutyl]-4,4-dimethylhexanamide
CID 79401305
2,2,3,3-tetrafluoro-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)propanamide
CID 103734026

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide?
The IUPAC name of 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide (CID 65472003) is 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide.
What is the SMILES notation for 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide?
The canonical SMILES for 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide is CN1C2CCCC1CC(NC(=O)CCC(C)(C)CCN)C2.
What is the InChIKey of 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide?
The InChIKey is BTYYIVFIDPAGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-17(2,9-10-18)8-7-16(21)19-13-11-14-5-4-6-15(12-13)20(14)3/h13-15H,4-12,18H2,1-3H3,(H,19,21).
What are the key properties of 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide?
6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide has a molecular weight of 295.47 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4,4-dimethyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)hexanamide is sourced from PubChem (CID 65472003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).