N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride

C18H32Cl2N2 — CID 3069993

IUPACN-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
SMILESCCN(CC)CCCNc1ccc(C2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N2.2ClH/c1-3-20(4-2)15-7-14-19-18-12-10-17(11-13-18)16-8-5-6-9-16;;/h10-13,16,19H,3-9,14-15H2,1-2H3;2*1H
InChIKeyINJIJNCFJPFMIY-UHFFFAOYSA-N
MW347.37 g/mol
LogP5.33
Rot. Bonds8

About N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride

N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride (PubChem CID 3069993) has the molecular formula C18H32Cl2N2 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
PubChem CID3069993
Molecular FormulaC18H32Cl2N2
Molecular Weight347.37 g/mol
Exact Mass346.19
IUPAC NameN-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride
SMILESCCN(CC)CCCNc1ccc(C2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C18H30N2.2ClH/c1-3-20(4-2)15-7-14-19-18-12-10-17(11-13-18)16-8-5-6-9-16;;/h10-13,16,19H,3-9,14-15H2,1-2H3;2*1H
InChIKeyINJIJNCFJPFMIY-UHFFFAOYSA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.37
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride?
The IUPAC name of N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride (CID 3069993) is N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride?
The canonical SMILES for N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride is CCN(CC)CCCNc1ccc(C2CCCC2)cc1.Cl.Cl.
What is the InChIKey of N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride?
The InChIKey is INJIJNCFJPFMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2.2ClH/c1-3-20(4-2)15-7-14-19-18-12-10-17(11-13-18)16-8-5-6-9-16;;/h10-13,16,19H,3-9,14-15H2,1-2H3;2*1H.
What are the key properties of N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride?
N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride has a molecular weight of 347.37 g/mol, XLogP of 5.33, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylphenyl)-N',N'-diethylpropane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 3069993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).