4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine

C9H15Cl2NO — CID 79173068

IUPAC4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine
SMILESNC1CCC(OCC(Cl)=CCl)CC1
InChIInChI=1S/C9H15Cl2NO/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h5,8-9H,1-4,6,12H2
InChIKeyODGUJTDJCCWRDT-UHFFFAOYSA-N
MW224.13 g/mol
LogP2.59
Rot. Bonds3

About 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine

4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine (PubChem CID 79173068) has the molecular formula C9H15Cl2NO and a molecular weight of 224.13 g/mol. Its IUPAC name is 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine
PubChem CID79173068
Molecular FormulaC9H15Cl2NO
Molecular Weight224.13 g/mol
Exact Mass223.05
IUPAC Name4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine
SMILESNC1CCC(OCC(Cl)=CCl)CC1
InChIInChI=1S/C9H15Cl2NO/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h5,8-9H,1-4,6,12H2
InChIKeyODGUJTDJCCWRDT-UHFFFAOYSA-N
XLogP2.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine?
The IUPAC name of 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine (CID 79173068) is 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine is NC1CCC(OCC(Cl)=CCl)CC1.
What is the InChIKey of 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine?
The InChIKey is ODGUJTDJCCWRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Cl2NO/c10-5-7(11)6-13-9-3-1-8(12)2-4-9/h5,8-9H,1-4,6,12H2.
What are the key properties of 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine?
4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine has a molecular weight of 224.13 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dichloroprop-2-enoxy)cyclohexan-1-amine is sourced from PubChem (CID 79173068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).