N-butyl-N-(cyclohexen-1-yl)propanamide

C13H23NO — CID 13169224

IUPACN-butyl-N-(cyclohexen-1-yl)propanamide
SMILESCCCCN(C(=O)CC)C1=CCCCC1
InChIInChI=1S/C13H23NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h9H,3-8,10-11H2,1-2H3
InChIKeyKANNEQBTZZRZFI-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.48
Rot. Bonds5

About N-butyl-N-(cyclohexen-1-yl)propanamide

N-butyl-N-(cyclohexen-1-yl)propanamide (PubChem CID 13169224) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-butyl-N-(cyclohexen-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-N-(cyclohexen-1-yl)propanamide
PubChem CID13169224
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-butyl-N-(cyclohexen-1-yl)propanamide
SMILESCCCCN(C(=O)CC)C1=CCCCC1
InChIInChI=1S/C13H23NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h9H,3-8,10-11H2,1-2H3
InChIKeyKANNEQBTZZRZFI-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(cyclohexen-1-yl)propanamide?
The IUPAC name of N-butyl-N-(cyclohexen-1-yl)propanamide (CID 13169224) is N-butyl-N-(cyclohexen-1-yl)propanamide.
What is the SMILES notation for N-butyl-N-(cyclohexen-1-yl)propanamide?
The canonical SMILES for N-butyl-N-(cyclohexen-1-yl)propanamide is CCCCN(C(=O)CC)C1=CCCCC1.
What is the InChIKey of N-butyl-N-(cyclohexen-1-yl)propanamide?
The InChIKey is KANNEQBTZZRZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12/h9H,3-8,10-11H2,1-2H3.
What are the key properties of N-butyl-N-(cyclohexen-1-yl)propanamide?
N-butyl-N-(cyclohexen-1-yl)propanamide has a molecular weight of 209.33 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(cyclohexen-1-yl)propanamide is sourced from PubChem (CID 13169224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).