N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide

C18H32N2O — CID 3217977

IUPACN-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide
SMILESCCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2
InChIInChI=1S/C18H32N2O/c1-2-11-20-16-9-6-10-17(20)13-15(12-16)19-18(21)14-7-4-3-5-8-14/h14-17H,2-13H2,1H3,(H,19,21)
InChIKeyAHTPEYZHWMDZPM-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.48
Rot. Bonds4

About N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide

N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide (PubChem CID 3217977) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide
PubChem CID3217977
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide
SMILESCCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2
InChIInChI=1S/C18H32N2O/c1-2-11-20-16-9-6-10-17(20)13-15(12-16)19-18(21)14-7-4-3-5-8-14/h14-17H,2-13H2,1H3,(H,19,21)
InChIKeyAHTPEYZHWMDZPM-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide (CID 3217977) is N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide is CCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2.
What is the InChIKey of N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
The InChIKey is AHTPEYZHWMDZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-11-20-16-9-6-10-17(20)13-15(12-16)19-18(21)14-7-4-3-5-8-14/h14-17H,2-13H2,1H3,(H,19,21).
What are the key properties of N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-propyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3217977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).