N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride

C17H30Cl2N2 — CID 3069985

IUPACN-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNc1ccc(C2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C17H28N2.2ClH/c1-3-19(4-2)14-13-18-17-11-9-16(10-12-17)15-7-5-6-8-15;;/h9-12,15,18H,3-8,13-14H2,1-2H3;2*1H
InChIKeyXIDSGLLQUYRZGG-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.94
Rot. Bonds7

About N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride

N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride (PubChem CID 3069985) has the molecular formula C17H30Cl2N2 and a molecular weight of 333.35 g/mol. Its IUPAC name is N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride.

Molecular Properties

Compound NameN-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride
PubChem CID3069985
Molecular FormulaC17H30Cl2N2
Molecular Weight333.35 g/mol
Exact Mass332.18
IUPAC NameN-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride
SMILESCCN(CC)CCNc1ccc(C2CCCC2)cc1.Cl.Cl
InChIInChI=1S/C17H28N2.2ClH/c1-3-19(4-2)14-13-18-17-11-9-16(10-12-17)15-7-5-6-8-15;;/h9-12,15,18H,3-8,13-14H2,1-2H3;2*1H
InChIKeyXIDSGLLQUYRZGG-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_D(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride?
The IUPAC name of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride (CID 3069985) is N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride.
What is the SMILES notation for N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride?
The canonical SMILES for N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride is CCN(CC)CCNc1ccc(C2CCCC2)cc1.Cl.Cl.
What is the InChIKey of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride?
The InChIKey is XIDSGLLQUYRZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2.2ClH/c1-3-19(4-2)14-13-18-17-11-9-16(10-12-17)15-7-5-6-8-15;;/h9-12,15,18H,3-8,13-14H2,1-2H3;2*1H.
What are the key properties of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride?
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine;dihydrochloride has a molecular weight of 333.35 g/mol, XLogP of 4.94, 7 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'-diethylethane-1,2-diamine;dihydrochloride is sourced from PubChem (CID 3069985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).