N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine

C17H26N2O2 — CID 106173203

IUPACN-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NCCC2=CCCC2)cc1OC
InChIInChI=1S/C17H26N2O2/c1-20-16-8-7-14(11-17(16)21-2)15(12-18)19-10-9-13-5-3-4-6-13/h5,7-8,11,15,19H,3-4,6,9-10,12,18H2,1-2H3
InChIKeyMVNSDSNGEJJQDB-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.79
Rot. Bonds8

About N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine

N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine (PubChem CID 106173203) 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-(3,4-dimethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
PubChem CID106173203
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
SMILESCOc1ccc(C(CN)NCCC2=CCCC2)cc1OC
InChIInChI=1S/C17H26N2O2/c1-20-16-8-7-14(11-17(16)21-2)15(12-18)19-10-9-13-5-3-4-6-13/h5,7-8,11,15,19H,3-4,6,9-10,12,18H2,1-2H3
InChIKeyMVNSDSNGEJJQDB-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-(4-methylphenyl)ethane-1,2-diamine
CID 106173196
1-(3-chloro-4-methylphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethane-1,2-diamine
CID 106173322
N-[2-(cyclopenten-1-yl)ethyl]-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine
CID 106173418
1-(3-bromo-4-methoxyphenyl)-N-[2-(cyclopenten-1-yl)ethyl]ethanamine
CID 106170053
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
2-(cyclohexen-1-yl)-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 116661815
N-[2-(cyclopenten-1-yl)ethyl]-1-phenylpropan-1-amine
CID 103843122
N-[2-(cyclopenten-1-yl)ethyl]-1-(4,5-dibromofuran-2-yl)ethane-1,2-diamine
CID 106173166
1-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65378384
cyclopenten-1-yl-(3,4-dimethoxyphenyl)methanamine
CID 55034080
N-(4-bromophenyl)-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine
CID 65377060
1-(3-chloro-4-methoxyphenyl)-N-propylethane-1,2-diamine
CID 65021451

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine (CID 106173203) is N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine is COc1ccc(C(CN)NCCC2=CCCC2)cc1OC.
What is the InChIKey of N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
The InChIKey is MVNSDSNGEJJQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-20-16-8-7-14(11-17(16)21-2)15(12-18)19-10-9-13-5-3-4-6-13/h5,7-8,11,15,19H,3-4,6,9-10,12,18H2,1-2H3.
What are the key properties of N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-dimethoxyphenyl)ethane-1,2-diamine?
N-[2-(cyclopenten-1-yl)ethyl]-1-(3,4-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-(3,4-dimethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 106173203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).