N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine

C17H28N2O — CID 43541063

IUPACN'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCOc1ccc(C(N)CN(CC)C2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(15-7-5-6-8-15)13-17(18)14-9-11-16(12-10-14)20-4-2/h9-12,15,17H,3-8,13,18H2,1-2H3
InChIKeyAPSVXDOGFJFJOT-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds7

About N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine

N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 43541063) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
PubChem CID43541063
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
SMILESCCOc1ccc(C(N)CN(CC)C2CCCC2)cc1
InChIInChI=1S/C17H28N2O/c1-3-19(15-7-5-6-8-15)13-17(18)14-9-11-16(12-10-14)20-4-2/h9-12,15,17H,3-8,13,18H2,1-2H3
InChIKeyAPSVXDOGFJFJOT-UHFFFAOYSA-N
XLogP3.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
N'-cyclopentyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43541052
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
CID 43103531
1-(4-bromophenyl)-N'-cyclopentyl-N'-ethylpropane-1,3-diamine
CID 62617204
1-(4-ethoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanamine
CID 16793434

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine (CID 43541063) is N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine is CCOc1ccc(C(N)CN(CC)C2CCCC2)cc1.
What is the InChIKey of N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is APSVXDOGFJFJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(15-7-5-6-8-15)13-17(18)14-9-11-16(12-10-14)20-4-2/h9-12,15,17H,3-8,13,18H2,1-2H3.
What are the key properties of N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine?
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 43541063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).