2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine

C11H19Cl2N — CID 79167443

IUPAC2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCCC1CCCCC1
InChIInChI=1S/C11H19Cl2N/c12-8-11(13)9-14-7-6-10-4-2-1-3-5-10/h8,10,14H,1-7,9H2
InChIKeyGHAVDMHCZBIDHX-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.87
Rot. Bonds5

About 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine

2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine (PubChem CID 79167443) has the molecular formula C11H19Cl2N and a molecular weight of 236.19 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine
PubChem CID79167443
Molecular FormulaC11H19Cl2N
Molecular Weight236.19 g/mol
Exact Mass235.09
IUPAC Name2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine
SMILESClC=C(Cl)CNCCC1CCCCC1
InChIInChI=1S/C11H19Cl2N/c12-8-11(13)9-14-7-6-10-4-2-1-3-5-10/h8,10,14H,1-7,9H2
InChIKeyGHAVDMHCZBIDHX-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine (CID 79167443) is 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine is ClC=C(Cl)CNCCC1CCCCC1.
What is the InChIKey of 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine?
The InChIKey is GHAVDMHCZBIDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2N/c12-8-11(13)9-14-7-6-10-4-2-1-3-5-10/h8,10,14H,1-7,9H2.
What are the key properties of 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine?
2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine has a molecular weight of 236.19 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-cyclohexylethyl)prop-2-en-1-amine is sourced from PubChem (CID 79167443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).