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

C19H34N2O — CID 3218215

IUPACN-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide
SMILESCCCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2
InChIInChI=1S/C19H34N2O/c1-2-3-12-21-17-10-7-11-18(21)14-16(13-17)20-19(22)15-8-5-4-6-9-15/h15-18H,2-14H2,1H3,(H,20,22)
InChIKeyBTRCTJCLWGHOKM-UHFFFAOYSA-N
MW306.49 g/mol
LogP3.87
Rot. Bonds5

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

N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide (PubChem CID 3218215) has the molecular formula C19H34N2O and a molecular weight of 306.49 g/mol. Its IUPAC name is N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide
PubChem CID3218215
Molecular FormulaC19H34N2O
Molecular Weight306.49 g/mol
Exact Mass306.27
IUPAC NameN-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide
SMILESCCCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2
InChIInChI=1S/C19H34N2O/c1-2-3-12-21-17-10-7-11-18(21)14-16(13-17)20-19(22)15-8-5-4-6-9-15/h15-18H,2-14H2,1H3,(H,20,22)
InChIKeyBTRCTJCLWGHOKM-UHFFFAOYSA-N
XLogP3.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
The IUPAC name of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide (CID 3218215) is N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide is CCCCN1C2CCCC1CC(NC(=O)C1CCCCC1)C2.
What is the InChIKey of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
The InChIKey is BTRCTJCLWGHOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O/c1-2-3-12-21-17-10-7-11-18(21)14-16(13-17)20-19(22)15-8-5-4-6-9-15/h15-18H,2-14H2,1H3,(H,20,22).
What are the key properties of N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide?
N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide has a molecular weight of 306.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-butyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3218215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).