N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide

C11H19NO — CID 13370230

IUPACN,3-dimethylbicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(=O)C1(C)CC2CCC(C2)C1
InChIInChI=1S/C11H19NO/c1-11(10(13)12-2)6-8-3-4-9(5-8)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyORZQVDDPQQVBJE-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.95
Rot. Bonds1

About N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide

N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide (PubChem CID 13370230) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethylbicyclo[3.2.1]octane-3-carboxamide
PubChem CID13370230
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC NameN,3-dimethylbicyclo[3.2.1]octane-3-carboxamide
SMILESCNC(=O)C1(C)CC2CCC(C2)C1
InChIInChI=1S/C11H19NO/c1-11(10(13)12-2)6-8-3-4-9(5-8)7-11/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyORZQVDDPQQVBJE-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(3.2.1)octane-3-carboxamide, 3-methyl-
CID 3086419
Bicyclo(3.2.1)octane-3-carboxamide, 3-ethyl-
CID 13370228
Bicyclo(3.2.l)octane-3-carboxamide, 3-(1-methylethyl)-
CID 13370229
N-methyltricyclo[4.3.1.13,8]undecane-3-carboxamide
CID 3880494
1-Isopropyl-N-methyl-2-methylcycloheptanecarboxamide
CID 91882
N-methyltricyclo[4.3.1.1~3,8~]undecane-1-carboxamide
CID 4027410
N-methyl-2-propan-2-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 10104124
N,1-Dimethylcyclohexane-1-carboxamide
CID 12361563
3-Methylbicyclo[3.2.1]octane-1-carboxamide
CID 17986088
N,2,6,6-tetramethylcycloheptane-1-carboxamide
CID 20293249
N,1,4,4-tetramethylcycloheptane-1-carboxamide
CID 20549187
1,2-diethyl-N-methylcyclohexane-1-carboxamide
CID 20565385

Frequently Asked Questions

What is the IUPAC name of N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide (CID 13370230) is N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide is CNC(=O)C1(C)CC2CCC(C2)C1.
What is the InChIKey of N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is ORZQVDDPQQVBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(10(13)12-2)6-8-3-4-9(5-8)7-11/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide?
N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 181.28 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethylbicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 13370230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).