N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine

C17H26N2O2 — CID 106173418

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NCCC2=CCCC2)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-20-14-7-8-15(17(11-14)21-2)16(12-18)19-10-9-13-5-3-4-6-13/h5,7-8,11,16,19H,3-4,6,9-10,12,18H2,1-2H3
InChIKeyHDQFEOCFNLGBFT-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds8

About N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 106173418) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID106173418
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NCCC2=CCCC2)c(OC)c1
InChIInChI=1S/C17H26N2O2/c1-20-14-7-8-15(17(11-14)21-2)16(12-18)19-10-9-13-5-3-4-6-13/h5,7-8,11,16,19H,3-4,6,9-10,12,18H2,1-2H3
InChIKeyHDQFEOCFNLGBFT-UHFFFAOYSA-N
XLogP2.79
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173203
1-(2,4-dimethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382605
N-[2-(cyclohexen-1-yl)ethyl]-1-(2-methoxyphenyl)propan-1-amine
CID 43766332
1-(2,4-dimethoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65381166
N-[2-(cyclopenten-1-yl)ethyl]-1-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 65377102
N-[2-(cyclohexen-1-yl)ethyl]-4-(4-methoxyphenyl)butan-2-amine
CID 5147026
N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
CID 106173166
N-[2-cyclobutyl-1-(2,4-dimethoxyphenyl)ethyl]propan-1-amine
CID 115863794
1-(2,4-dimethoxyphenyl)-3-methyl-N-propylbutan-1-amine
CID 43496064
methyl 3-[2-(cyclopenten-1-yl)ethylamino]-2-methylbutanoate
CID 106173950

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine (CID 106173418) is N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)NCCC2=CCCC2)c(OC)c1.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is HDQFEOCFNLGBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-14-7-8-15(17(11-14)21-2)16(12-18)19-10-9-13-5-3-4-6-13/h5,7-8,11,16,19H,3-4,6,9-10,12,18H2,1-2H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine has a molecular weight of 290.41 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106173418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).