N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine

C11H19Cl2N — CID 79167923

IUPACN-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCC(Cl)=CCl
InChIInChI=1S/C11H19Cl2N/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12/h7,9,11,14H,2-6,8H2,1H3
InChIKeyWRBXMBHYEMZIFB-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.86
Rot. Bonds4

About N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine

N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine (PubChem CID 79167923) has the molecular formula C11H19Cl2N and a molecular weight of 236.19 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
PubChem CID79167923
Molecular FormulaC11H19Cl2N
Molecular Weight236.19 g/mol
Exact Mass235.09
IUPAC NameN-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine
SMILESCCC1CCCCC1NCC(Cl)=CCl
InChIInChI=1S/C11H19Cl2N/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12/h7,9,11,14H,2-6,8H2,1H3
InChIKeyWRBXMBHYEMZIFB-UHFFFAOYSA-N
XLogP3.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine 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

[2-(2,3-dichloroprop-2-enylamino)cyclopentyl]methanol
CID 106360754
2-ethyl-N-prop-2-enylcyclohexan-1-amine
CID 62142413
2-ethyl-N-(3-methylbut-2-enyl)cyclopentan-1-amine
CID 103522734
2-(chloromethyl)-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106365327
2-[(2-ethylcyclohexyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 54961790
2-[[(2-ethylcyclohexyl)amino]methyl]prop-2-enoic acid
CID 103246772
2-[(2-ethylcyclohexyl)amino]-N-pentan-2-ylacetamide
CID 54957422
N,2-diethylcycloheptan-1-amine;propan-1-ol
CID 71071624
[2-[(3-chloro-2-methylprop-2-enyl)amino]cyclopentyl]methanol
CID 106438361
3-[(2-ethylcyclohexyl)amino]propanamide
CID 61466861
2-ethyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103960948
[1-[[(2-ethylcyclohexyl)amino]methyl]cyclohexyl]methanol
CID 81412676

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine (CID 79167923) is N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine is CCC1CCCCC1NCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine?
The InChIKey is WRBXMBHYEMZIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2N/c1-2-9-5-3-4-6-11(9)14-8-10(13)7-12/h7,9,11,14H,2-6,8H2,1H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine?
N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine has a molecular weight of 236.19 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-2-ethylcyclohexan-1-amine is sourced from PubChem (CID 79167923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).