N-(1-cyclohexylethyl)formamide

C9H17NO — CID 54513796

IUPACN-(1-cyclohexylethyl)formamide
SMILESCC(NC=O)C1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(10-7-11)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,10,11)
InChIKeyBQXZBAWEAZIXPW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.70
Rot. Bonds3

About N-(1-cyclohexylethyl)formamide

N-(1-cyclohexylethyl)formamide (PubChem CID 54513796) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)formamide.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)formamide
PubChem CID54513796
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-(1-cyclohexylethyl)formamide
SMILESCC(NC=O)C1CCCCC1
InChIInChI=1S/C9H17NO/c1-8(10-7-11)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,10,11)
InChIKeyBQXZBAWEAZIXPW-UHFFFAOYSA-N
XLogP1.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Formamide, N-(1-methylheptyl)-
CID 11815987
N-Cyclohexylmethyl-formamide
CID 20333386
Formamide, N-(4-(cyclohexylmethyl)-1-cyclohexyl)-
CID 37849
Formamide, N-(2-propylpentyl)-
CID 218530
1-Methylheptylformamide
CID 5478865
N-1-methylheptylformamide
CID 5288319
N-[(1R)-1-cyclohexyl-ethyl]-formamide
CID 59836339
Propanamide, N-(1-cyclohexylethyl)-
CID 541858
N-[(1R)-1-cyclohexylethyl]acetamide
CID 13617462
N-formylisoamylnonylamine
CID 21057306
N-acetyl-2-ethylcyclohexylamine
CID 60756902
Niosh/AB8550000
CID 297411

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)formamide?
The IUPAC name of N-(1-cyclohexylethyl)formamide (CID 54513796) is N-(1-cyclohexylethyl)formamide.
What is the SMILES notation for N-(1-cyclohexylethyl)formamide?
The canonical SMILES for N-(1-cyclohexylethyl)formamide is CC(NC=O)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)formamide?
The InChIKey is BQXZBAWEAZIXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(10-7-11)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3,(H,10,11).
What are the key properties of N-(1-cyclohexylethyl)formamide?
N-(1-cyclohexylethyl)formamide has a molecular weight of 155.24 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylethyl)formamide is sourced from PubChem (CID 54513796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).