2,6,6-trimethylcycloheptane-1-carboxamide

C11H21NO — CID 86737466

IUPAC2,6,6-trimethylcycloheptane-1-carboxamide
SMILESCC1CCCC(C)(C)CC1C(N)=O
InChIInChI=1S/C11H21NO/c1-8-5-4-6-11(2,3)7-9(8)10(12)13/h8-9H,4-7H2,1-3H3,(H2,12,13)
InChIKeyZZMXAOCEZYTEMB-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.32
Rot. Bonds1

About 2,6,6-trimethylcycloheptane-1-carboxamide

2,6,6-trimethylcycloheptane-1-carboxamide (PubChem CID 86737466) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,6,6-trimethylcycloheptane-1-carboxamide.

Molecular Properties

Compound Name2,6,6-trimethylcycloheptane-1-carboxamide
PubChem CID86737466
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,6,6-trimethylcycloheptane-1-carboxamide
SMILESCC1CCCC(C)(C)CC1C(N)=O
InChIInChI=1S/C11H21NO/c1-8-5-4-6-11(2,3)7-9(8)10(12)13/h8-9H,4-7H2,1-3H3,(H2,12,13)
InChIKeyZZMXAOCEZYTEMB-UHFFFAOYSA-N
XLogP2.32
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-2-methylcyclopentane-1-carboxamide
CID 55289072
4-hydroxy-2,4-dimethylcyclohexane-1-carboxamide
CID 144739612
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265
2,7,7-trimethylcyclooctan-1-amine
CID 167202937
[2-oxo-2-[(1S,2S)-2,6,6-trimethylcycloheptyl]oxyethyl] propanoate
CID 102295912
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
cobalt;1,1,3-trimethylcyclohexane
CID 70372264
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
(1R,2R,5R)-2,5-dimethylcyclohexane-1-carboxamide
CID 93234202
2-hydroperoxy-2-methylpropane;1,1,3-trimethylcyclohexane
CID 174385577
4-(3,3-dimethylcyclohexyl)pyrrolidine-3-carboxylic acid
CID 165463044
2,4,4,9-tetramethylbicyclo[6.1.0]nonane
CID 123967935

Frequently Asked Questions

What is the IUPAC name of 2,6,6-trimethylcycloheptane-1-carboxamide?
The IUPAC name of 2,6,6-trimethylcycloheptane-1-carboxamide (CID 86737466) is 2,6,6-trimethylcycloheptane-1-carboxamide.
What is the SMILES notation for 2,6,6-trimethylcycloheptane-1-carboxamide?
The canonical SMILES for 2,6,6-trimethylcycloheptane-1-carboxamide is CC1CCCC(C)(C)CC1C(N)=O.
What is the InChIKey of 2,6,6-trimethylcycloheptane-1-carboxamide?
The InChIKey is ZZMXAOCEZYTEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-5-4-6-11(2,3)7-9(8)10(12)13/h8-9H,4-7H2,1-3H3,(H2,12,13).
What are the key properties of 2,6,6-trimethylcycloheptane-1-carboxamide?
2,6,6-trimethylcycloheptane-1-carboxamide has a molecular weight of 183.29 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6,6-trimethylcycloheptane-1-carboxamide is sourced from PubChem (CID 86737466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).