N-(2,5,5-trimethylcyclohexyl)formamide

C10H19NO — CID 23292724

IUPACN-(2,5,5-trimethylcyclohexyl)formamide
SMILESCC1CCC(C)(C)CC1NC=O
InChIInChI=1S/C10H19NO/c1-8-4-5-10(2,3)6-9(8)11-7-12/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyXQONODVSZAISEL-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.95
Rot. Bonds2

About N-(2,5,5-trimethylcyclohexyl)formamide

N-(2,5,5-trimethylcyclohexyl)formamide (PubChem CID 23292724) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-(2,5,5-trimethylcyclohexyl)formamide.

Molecular Properties

Compound NameN-(2,5,5-trimethylcyclohexyl)formamide
PubChem CID23292724
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-(2,5,5-trimethylcyclohexyl)formamide
SMILESCC1CCC(C)(C)CC1NC=O
InChIInChI=1S/C10H19NO/c1-8-4-5-10(2,3)6-9(8)11-7-12/h7-9H,4-6H2,1-3H3,(H,11,12)
InChIKeyXQONODVSZAISEL-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.95
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-(2,5,5-trimethylcyclohexyl)formamide?
The IUPAC name of N-(2,5,5-trimethylcyclohexyl)formamide (CID 23292724) is N-(2,5,5-trimethylcyclohexyl)formamide.
What is the SMILES notation for N-(2,5,5-trimethylcyclohexyl)formamide?
The canonical SMILES for N-(2,5,5-trimethylcyclohexyl)formamide is CC1CCC(C)(C)CC1NC=O.
What is the InChIKey of N-(2,5,5-trimethylcyclohexyl)formamide?
The InChIKey is XQONODVSZAISEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-8-4-5-10(2,3)6-9(8)11-7-12/h7-9H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-(2,5,5-trimethylcyclohexyl)formamide?
N-(2,5,5-trimethylcyclohexyl)formamide has a molecular weight of 169.27 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5,5-trimethylcyclohexyl)formamide is sourced from PubChem (CID 23292724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).