2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine

C10H17Cl2NO — CID 102633097

IUPAC2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h6,9-10,13H,2-5,7H2,1H3
InChIKeyJPSKDKWKTKHNHX-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.85
Rot. Bonds4

About 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine

2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine (PubChem CID 102633097) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
PubChem CID102633097
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1OCC(Cl)=CCl
InChIInChI=1S/C10H17Cl2NO/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h6,9-10,13H,2-5,7H2,1H3
InChIKeyJPSKDKWKTKHNHX-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-Dichloroprop-2-enoxymethyl)piperidine
CID 79174178
N-methyl-2-prop-2-enoxycyclohexan-1-amine
CID 102633115
2-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 102633133
2-[(E)-3-chloroprop-2-enoxy]-N-methylcyclohexan-1-amine
CID 102633139
N-methyl-2-(2-methylprop-2-enoxy)cyclohexan-1-amine
CID 102633436
2-(2,3-Dichloroprop-2-enoxy)cyclohexan-1-amine
CID 104285199
2-(2-Chloroprop-2-enoxy)cyclohexan-1-amine
CID 104285293
4-(2-chloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454357
4-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine
CID 104454568
4-(2,3-dichloroprop-2-enoxy)-N-ethylcyclohexan-1-amine
CID 104454977
4-(2,3-dichloroprop-2-enoxy)-N-propylcyclohexan-1-amine
CID 104455345
2-(3-Chloro-2-methylprop-2-enoxy)cyclohexan-1-amine
CID 106439145

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine (CID 102633097) is 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine is CNC1CCCCC1OCC(Cl)=CCl.
What is the InChIKey of 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine?
The InChIKey is JPSKDKWKTKHNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c1-13-9-4-2-3-5-10(9)14-7-8(12)6-11/h6,9-10,13H,2-5,7H2,1H3.
What are the key properties of 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine?
2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine has a molecular weight of 238.16 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloroprop-2-enoxy)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 102633097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).