2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine

C11H19Cl2N — CID 79167263

IUPAC2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESCC1CCCCC1CNCC(Cl)=CCl
InChIInChI=1S/C11H19Cl2N/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h6,9-10,14H,2-5,7-8H2,1H3
InChIKeyAGCADNDETAMKCQ-UHFFFAOYSA-N
MW236.19 g/mol
LogP3.72
Rot. Bonds4

About 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine

2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 79167263) has the molecular formula C11H19Cl2N and a molecular weight of 236.19 g/mol. Its IUPAC name is 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID79167263
Molecular FormulaC11H19Cl2N
Molecular Weight236.19 g/mol
Exact Mass235.09
IUPAC Name2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine
SMILESCC1CCCCC1CNCC(Cl)=CCl
InChIInChI=1S/C11H19Cl2N/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h6,9-10,14H,2-5,7-8H2,1H3
InChIKeyAGCADNDETAMKCQ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine (CID 79167263) is 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine is CC1CCCCC1CNCC(Cl)=CCl.
What is the InChIKey of 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is AGCADNDETAMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19Cl2N/c1-9-4-2-3-5-10(9)7-14-8-11(13)6-12/h6,9-10,14H,2-5,7-8H2,1H3.
What are the key properties of 2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine?
2,3-dichloro-N-[(2-methylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 236.19 g/mol, XLogP of 3.72, 4 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-methylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 79167263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).