1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine

C10H17Cl2NO — CID 79173171

IUPAC1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine
SMILESNC1(COCC(Cl)=CCl)CCCCC1
InChIInChI=1S/C10H17Cl2NO/c11-6-9(12)7-14-8-10(13)4-2-1-3-5-10/h6H,1-5,7-8,13H2
InChIKeyNJUXPKWXJXMMHK-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.98
Rot. Bonds4

About 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine

1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine (PubChem CID 79173171) has the molecular formula C10H17Cl2NO and a molecular weight of 238.16 g/mol. Its IUPAC name is 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine
PubChem CID79173171
Molecular FormulaC10H17Cl2NO
Molecular Weight238.16 g/mol
Exact Mass237.07
IUPAC Name1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine
SMILESNC1(COCC(Cl)=CCl)CCCCC1
InChIInChI=1S/C10H17Cl2NO/c11-6-9(12)7-14-8-10(13)4-2-1-3-5-10/h6H,1-5,7-8,13H2
InChIKeyNJUXPKWXJXMMHK-UHFFFAOYSA-N
XLogP2.98
TPSA35.25 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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine?
The IUPAC name of 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine (CID 79173171) is 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine is NC1(COCC(Cl)=CCl)CCCCC1.
What is the InChIKey of 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine?
The InChIKey is NJUXPKWXJXMMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17Cl2NO/c11-6-9(12)7-14-8-10(13)4-2-1-3-5-10/h6H,1-5,7-8,13H2.
What are the key properties of 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine?
1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine has a molecular weight of 238.16 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichloroprop-2-enoxymethyl)cyclohexan-1-amine is sourced from PubChem (CID 79173171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).