3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

C16H28N2O2 — CID 60998086

IUPAC3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1C2CCC1CC(NC1CCCCCC1)(C(=O)O)C2
InChIInChI=1S/C16H28N2O2/c1-18-13-8-9-14(18)11-16(10-13,15(19)20)17-12-6-4-2-3-5-7-12/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyIOKCUIWYORKJGE-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.38
Rot. Bonds3

About 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid

3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 60998086) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID60998086
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESCN1C2CCC1CC(NC1CCCCCC1)(C(=O)O)C2
InChIInChI=1S/C16H28N2O2/c1-18-13-8-9-14(18)11-16(10-13,15(19)20)17-12-6-4-2-3-5-7-12/h12-14,17H,2-11H2,1H3,(H,19,20)
InChIKeyIOKCUIWYORKJGE-UHFFFAOYSA-N
XLogP2.38
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cycloheptylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 63449213
1-(cyclopentylamino)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 62704491
4-(cyclopentylamino)-1-methylazepane-4-carboxylic acid
CID 65075216
1-(cyclopropylamino)-3-piperidin-1-ylcyclopentane-1-carboxylic acid
CID 79649865
4-(cyclopentylamino)-1-propan-2-ylazepane-4-carboxylic acid
CID 65076211
1-(cyclopropylamino)-3-propan-2-ylcyclobutane-1-carboxylic acid
CID 103563390
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 54894294
1-(cyclohexylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60998427
8-methyl-3-(2,2,2-trifluoroethylamino)-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 54893127
4-(cycloheptylamino)thiane-4-carboxylic acid
CID 61319838
1-(cycloheptylamino)-3-cyclopropylcyclohexane-1-carboxylic acid
CID 64624848
1-(cyclopropylamino)cyclododecane-1-carboxylic acid
CID 43754451

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 60998086) is 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is CN1C2CCC1CC(NC1CCCCCC1)(C(=O)O)C2.
What is the InChIKey of 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is IOKCUIWYORKJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-18-13-8-9-14(18)11-16(10-13,15(19)20)17-12-6-4-2-3-5-7-12/h12-14,17H,2-11H2,1H3,(H,19,20).
What are the key properties of 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid?
3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 280.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylamino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 60998086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).