N-butyl-N-cyclohexylformamide

C11H21NO — CID 22559369

IUPACN-butyl-N-cyclohexylformamide
SMILESCCCCN(C=O)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-9-12(10-13)11-7-5-4-6-8-11/h10-11H,2-9H2,1H3
InChIKeyFWHFWYKSIPTXBJ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.58
Rot. Bonds5

About N-butyl-N-cyclohexylformamide

N-butyl-N-cyclohexylformamide (PubChem CID 22559369) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-butyl-N-cyclohexylformamide.

Molecular Properties

Compound NameN-butyl-N-cyclohexylformamide
PubChem CID22559369
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-butyl-N-cyclohexylformamide
SMILESCCCCN(C=O)C1CCCCC1
InChIInChI=1S/C11H21NO/c1-2-3-9-12(10-13)11-7-5-4-6-8-11/h10-11H,2-9H2,1H3
InChIKeyFWHFWYKSIPTXBJ-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
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-butyl-N-cyclohexylformamide?
The IUPAC name of N-butyl-N-cyclohexylformamide (CID 22559369) is N-butyl-N-cyclohexylformamide.
What is the SMILES notation for N-butyl-N-cyclohexylformamide?
The canonical SMILES for N-butyl-N-cyclohexylformamide is CCCCN(C=O)C1CCCCC1.
What is the InChIKey of N-butyl-N-cyclohexylformamide?
The InChIKey is FWHFWYKSIPTXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-3-9-12(10-13)11-7-5-4-6-8-11/h10-11H,2-9H2,1H3.
What are the key properties of N-butyl-N-cyclohexylformamide?
N-butyl-N-cyclohexylformamide has a molecular weight of 183.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-cyclohexylformamide is sourced from PubChem (CID 22559369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).