N-(3-butan-2-yl-4-formylcyclohexyl)formamide

C12H21NO2 — CID 88914681

IUPACN-(3-butan-2-yl-4-formylcyclohexyl)formamide
SMILESCCC(C)C1CC(NC=O)CCC1C=O
InChIInChI=1S/C12H21NO2/c1-3-9(2)12-6-11(13-8-15)5-4-10(12)7-14/h7-12H,3-6H2,1-2H3,(H,13,15)
InChIKeyULQUOGOLEVIQBE-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.76
Rot. Bonds5

About N-(3-butan-2-yl-4-formylcyclohexyl)formamide

N-(3-butan-2-yl-4-formylcyclohexyl)formamide (PubChem CID 88914681) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(3-butan-2-yl-4-formylcyclohexyl)formamide.

Molecular Properties

Compound NameN-(3-butan-2-yl-4-formylcyclohexyl)formamide
PubChem CID88914681
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3-butan-2-yl-4-formylcyclohexyl)formamide
SMILESCCC(C)C1CC(NC=O)CCC1C=O
InChIInChI=1S/C12H21NO2/c1-3-9(2)12-6-11(13-8-15)5-4-10(12)7-14/h7-12H,3-6H2,1-2H3,(H,13,15)
InChIKeyULQUOGOLEVIQBE-UHFFFAOYSA-N
XLogP1.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-butan-2-yl-4-formylcyclohexyl)formamide?
The IUPAC name of N-(3-butan-2-yl-4-formylcyclohexyl)formamide (CID 88914681) is N-(3-butan-2-yl-4-formylcyclohexyl)formamide.
What is the SMILES notation for N-(3-butan-2-yl-4-formylcyclohexyl)formamide?
The canonical SMILES for N-(3-butan-2-yl-4-formylcyclohexyl)formamide is CCC(C)C1CC(NC=O)CCC1C=O.
What is the InChIKey of N-(3-butan-2-yl-4-formylcyclohexyl)formamide?
The InChIKey is ULQUOGOLEVIQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-9(2)12-6-11(13-8-15)5-4-10(12)7-14/h7-12H,3-6H2,1-2H3,(H,13,15).
What are the key properties of N-(3-butan-2-yl-4-formylcyclohexyl)formamide?
N-(3-butan-2-yl-4-formylcyclohexyl)formamide has a molecular weight of 211.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yl-4-formylcyclohexyl)formamide is sourced from PubChem (CID 88914681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).