N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide

C18H32N2O — CID 107180646

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCCC1(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C18H32N2O/c1-4-20(15-11-13-8-9-14(12-15)19-13)17(21)16-7-5-6-10-18(16,2)3/h13-16,19H,4-12H2,1-3H3
InChIKeyAMMRWNYPALOSKD-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.33
Rot. Bonds3

About N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide (PubChem CID 107180646) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
PubChem CID107180646
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide
SMILESCCN(C(=O)C1CCCCC1(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C18H32N2O/c1-4-20(15-11-13-8-9-14(12-15)19-13)17(21)16-7-5-6-10-18(16,2)3/h13-16,19H,4-12H2,1-3H3
InChIKeyAMMRWNYPALOSKD-UHFFFAOYSA-N
XLogP3.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide (CID 107180646) is N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide is CCN(C(=O)C1CCCCC1(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
The InChIKey is AMMRWNYPALOSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-20(15-11-13-8-9-14(12-15)19-13)17(21)16-7-5-6-10-18(16,2)3/h13-16,19H,4-12H2,1-3H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide has a molecular weight of 292.47 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-2,2-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 107180646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).