3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine

C14H22N2O — CID 80724152

IUPAC3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine
SMILESCCN(c1cc(N)cc(OC)c1)C1CCCC1
InChIInChI=1S/C14H22N2O/c1-3-16(12-6-4-5-7-12)13-8-11(15)9-14(10-13)17-2/h8-10,12H,3-7,15H2,1-2H3
InChIKeyIYSFIGINFKQZHO-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.05
Rot. Bonds4

About 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine

3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine (PubChem CID 80724152) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine
PubChem CID80724152
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine
SMILESCCN(c1cc(N)cc(OC)c1)C1CCCC1
InChIInChI=1S/C14H22N2O/c1-3-16(12-6-4-5-7-12)13-8-11(15)9-14(10-13)17-2/h8-10,12H,3-7,15H2,1-2H3
InChIKeyIYSFIGINFKQZHO-UHFFFAOYSA-N
XLogP3.05
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 80725295
3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 80724019
3-N-cyclopropyl-5-methoxy-3-N-(thiophen-2-ylmethyl)benzene-1,3-diamine
CID 80729545
3-[[cyclopentyl(ethyl)amino]methyl]-5-methoxyaniline
CID 81149127
3-N-cyclopentyl-3-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80782218
3-N-cyclopropyl-5-ethoxy-3-N-propylbenzene-1,3-diamine
CID 80722157
3-N-cyclopropyl-5-propan-2-yloxy-3-N-propylbenzene-1,3-diamine
CID 80722008
4-N-cyclopentyl-4-N-ethyl-2-methylbenzene-1,4-diamine
CID 43540845
1-N-cyclopentyl-1-N-ethyl-3-methoxybenzene-1,2-diamine
CID 113392522
N'-cyclohexyl-N'-(3-methoxyphenyl)propane-1,3-diamine
CID 43319153
3-N-(cyclobutylmethyl)-5-ethoxy-3-N-ethylbenzene-1,3-diamine
CID 107397110
3-bromo-N-cyclohexyl-N-ethylaniline
CID 146003901

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine?
The IUPAC name of 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine (CID 80724152) is 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine is CCN(c1cc(N)cc(OC)c1)C1CCCC1.
What is the InChIKey of 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine?
The InChIKey is IYSFIGINFKQZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-16(12-6-4-5-7-12)13-8-11(15)9-14(10-13)17-2/h8-10,12H,3-7,15H2,1-2H3.
What are the key properties of 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine?
3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-3-N-ethyl-5-methoxybenzene-1,3-diamine is sourced from PubChem (CID 80724152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).