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

C17H28N2 — CID 3069986

IUPACN-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(C2CCCC2)cc1
InChIInChI=1S/C17H28N2/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
InChIKeyCWHKKBQPROZYFG-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.10
Rot. Bonds7

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

N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 3069986) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
PubChem CID3069986
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine
SMILESCCN(CC)CCNc1ccc(C2CCCC2)cc1
InChIInChI=1S/C17H28N2/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
InChIKeyCWHKKBQPROZYFG-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N,N',N'-Tetramethylbenzidine
CID 9702
N,N'-Di-o-tolylethylenediamine
CID 66759
1,2-Ethanediamine, N1-ethyl-N1-(3-methylphenyl)-
CID 87984
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
1-(2,3-Xylyl)piperazine
CID 70541
2-Mepp
CID 91965
1-(3,4-Xylyl)piperazine
CID 2723782
4-Amino-4'-(N,N-dimethylamino)stilbene
CID 5376919
N-benzyl-4-methylaniline
CID 79403
N-Ethyl-p-toluidine
CID 61164
4,4'-methylenebis[N,N-diethylaniline]
CID 67288

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine (CID 3069986) is N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine is CCN(CC)CCNc1ccc(C2CCCC2)cc1.
What is the InChIKey of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is CWHKKBQPROZYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/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.
What are the key properties of N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine?
N-(4-cyclopentylphenyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 4.10, 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 is sourced from PubChem (CID 3069986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).