1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine

C14H20Cl2N2 — CID 114544697

IUPAC1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H20Cl2N2/c1-9-5-6-10(7-9)18-13(8-17)14-11(15)3-2-4-12(14)16/h2-4,9-10,13,18H,5-8,17H2,1H3
InChIKeyMZWFYANDEJZZFJ-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.77
Rot. Bonds4

About 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine

1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine (PubChem CID 114544697) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
PubChem CID114544697
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine
SMILESCC1CCC(NC(CN)c2c(Cl)cccc2Cl)C1
InChIInChI=1S/C14H20Cl2N2/c1-9-5-6-10(7-9)18-13(8-17)14-11(15)3-2-4-12(14)16/h2-4,9-10,13,18H,5-8,17H2,1H3
InChIKeyMZWFYANDEJZZFJ-UHFFFAOYSA-N
XLogP3.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine (CID 114544697) is 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine is CC1CCC(NC(CN)c2c(Cl)cccc2Cl)C1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
The InChIKey is MZWFYANDEJZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-9-5-6-10(7-9)18-13(8-17)14-11(15)3-2-4-12(14)16/h2-4,9-10,13,18H,5-8,17H2,1H3.
What are the key properties of 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine?
1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine has a molecular weight of 287.23 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-(3-methylcyclopentyl)ethane-1,2-diamine is sourced from PubChem (CID 114544697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).