N-(2-ethyl-5,5-dimethylcyclohexyl)formamide

C11H21NO — CID 23292782

IUPACN-(2-ethyl-5,5-dimethylcyclohexyl)formamide
SMILESCCC1CCC(C)(C)CC1NC=O
InChIInChI=1S/C11H21NO/c1-4-9-5-6-11(2,3)7-10(9)12-8-13/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyDILLHXRDTGIAOQ-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.34
Rot. Bonds3

About N-(2-ethyl-5,5-dimethylcyclohexyl)formamide

N-(2-ethyl-5,5-dimethylcyclohexyl)formamide (PubChem CID 23292782) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is N-(2-ethyl-5,5-dimethylcyclohexyl)formamide.

Molecular Properties

Compound NameN-(2-ethyl-5,5-dimethylcyclohexyl)formamide
PubChem CID23292782
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC NameN-(2-ethyl-5,5-dimethylcyclohexyl)formamide
SMILESCCC1CCC(C)(C)CC1NC=O
InChIInChI=1S/C11H21NO/c1-4-9-5-6-11(2,3)7-10(9)12-8-13/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyDILLHXRDTGIAOQ-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,5-dimethylcyclohexyl)formamide?
The IUPAC name of N-(2-ethyl-5,5-dimethylcyclohexyl)formamide (CID 23292782) is N-(2-ethyl-5,5-dimethylcyclohexyl)formamide.
What is the SMILES notation for N-(2-ethyl-5,5-dimethylcyclohexyl)formamide?
The canonical SMILES for N-(2-ethyl-5,5-dimethylcyclohexyl)formamide is CCC1CCC(C)(C)CC1NC=O.
What is the InChIKey of N-(2-ethyl-5,5-dimethylcyclohexyl)formamide?
The InChIKey is DILLHXRDTGIAOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-9-5-6-11(2,3)7-10(9)12-8-13/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-(2-ethyl-5,5-dimethylcyclohexyl)formamide?
N-(2-ethyl-5,5-dimethylcyclohexyl)formamide has a molecular weight of 183.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,5-dimethylcyclohexyl)formamide is sourced from PubChem (CID 23292782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).