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

C16H24N2O — CID 106166400

IUPAC4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NCCC2=CCCC2)ccc1N
InChIInChI=1S/C16H24N2O/c1-2-11-19-16-12-14(7-8-15(16)17)18-10-9-13-5-3-4-6-13/h5,7-8,12,18H,2-4,6,9-11,17H2,1H3
InChIKeyUPVCWFAYKYPPLJ-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.97
Rot. Bonds7

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

4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine (PubChem CID 106166400) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
PubChem CID106166400
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
SMILESCCCOc1cc(NCCC2=CCCC2)ccc1N
InChIInChI=1S/C16H24N2O/c1-2-11-19-16-12-14(7-8-15(16)17)18-10-9-13-5-3-4-6-13/h5,7-8,12,18H,2-4,6,9-11,17H2,1H3
InChIKeyUPVCWFAYKYPPLJ-UHFFFAOYSA-N
XLogP3.97
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(azepan-1-yl)ethyl]-2-propoxybenzene-1,4-diamine
CID 63669842
4-[2-(4-amino-3-propoxyanilino)ethyl]phenol
CID 63671834
4-N-(2-methylsulfanylethyl)-2-propoxybenzene-1,4-diamine
CID 63983761
1-N-[2-(cyclohexen-1-yl)ethyl]-3-propoxybenzene-1,2-diamine
CID 107846137
2-propoxy-4-N-(3-pyrrolidin-1-ylpropyl)benzene-1,4-diamine
CID 63677568
4-N-[2-(cyclopenten-1-yl)ethyl]benzene-1,4-diamine
CID 106166027
N-[2-(cyclopenten-1-yl)ethyl]-3-ethoxy-4-nitroaniline
CID 103844258
4-(4-amino-3-propoxyanilino)butan-2-ol
CID 64928452
4-N-[2-(cyclohexen-1-yl)ethyl]-2-(trifluoromethyl)benzene-1,4-diamine
CID 107846020
methyl 3-(4-amino-3-propoxyanilino)propanoate
CID 55232749
4-(4-amino-3-propoxyanilino)butanamide
CID 63671493
2-N-[2-(cyclopenten-1-yl)ethyl]-4-ethoxy-5-fluorobenzene-1,2-diamine
CID 106166218

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine?
The IUPAC name of 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine (CID 106166400) is 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine?
The canonical SMILES for 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine is CCCOc1cc(NCCC2=CCCC2)ccc1N.
What is the InChIKey of 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine?
The InChIKey is UPVCWFAYKYPPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-11-19-16-12-14(7-8-15(16)17)18-10-9-13-5-3-4-6-13/h5,7-8,12,18H,2-4,6,9-11,17H2,1H3.
What are the key properties of 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine?
4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine has a molecular weight of 260.38 g/mol, XLogP of 3.97, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclopenten-1-yl)ethyl]-2-propoxybenzene-1,4-diamine is sourced from PubChem (CID 106166400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).