N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide

C13H19NO — CID 50917910

IUPACN-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
SMILESCCCCNC(=O)C#CC1=CCCCC1
InChIInChI=1S/C13H19NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h7H,2-6,8,11H2,1H3,(H,14,15)
InChIKeyJTVWJRKDJAAOGG-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.41
Rot. Bonds3

About N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide

N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide (PubChem CID 50917910) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide.

Molecular Properties

Compound NameN-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
PubChem CID50917910
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN-butyl-3-(cyclohexen-1-yl)prop-2-ynamide
SMILESCCCCNC(=O)C#CC1=CCCCC1
InChIInChI=1S/C13H19NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h7H,2-6,8,11H2,1H3,(H,14,15)
InChIKeyJTVWJRKDJAAOGG-UHFFFAOYSA-N
XLogP2.41
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-3-phenylprop-2-ynamide
CID 141247412
(1E)-N-butylcycloocten-1-amine
CID 89153703
1-(cyclohexen-1-yl)hex-1-yn-3-ol
CID 16724041
ethyl 3-(cyclopenten-1-yl)prop-2-ynoate
CID 102325118
propan-2-yl 4-(cyclohexen-1-yl)-2-oxobut-3-ynoate
CID 11310564
8-(cyclohexen-1-yl)oct-7-yn-3-one
CID 101478958
N-hexyl-3-phenylprop-2-ynamide
CID 155936824
3-bromo-N-butylprop-2-ynamide
CID 19434599
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
[[(Z)-2-[2-(cyclohexen-1-yl)ethynyl]hex-1-enyl]-phenylphosphoryl]benzene
CID 11326697
2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]-N-butylacetamide
CID 113159604
4-(cyclohexen-1-yl)-1-phenylbut-3-yn-2-one
CID 11708384

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide?
The IUPAC name of N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide (CID 50917910) is N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide.
What is the SMILES notation for N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide?
The canonical SMILES for N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide is CCCCNC(=O)C#CC1=CCCCC1.
What is the InChIKey of N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide?
The InChIKey is JTVWJRKDJAAOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-2-3-11-14-13(15)10-9-12-7-5-4-6-8-12/h7H,2-6,8,11H2,1H3,(H,14,15).
What are the key properties of N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide?
N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide has a molecular weight of 205.30 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(cyclohexen-1-yl)prop-2-ynamide is sourced from PubChem (CID 50917910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).