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

C16H26N2O — CID 80724019

IUPAC3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CC)C2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-9-19-16-11-13(17)10-15(12-16)18(4-2)14-7-5-6-8-14/h10-12,14H,3-9,17H2,1-2H3
InChIKeyPGYHZNLLOQREGW-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.83
Rot. Bonds6

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

3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine (PubChem CID 80724019) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine
PubChem CID80724019
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(N(CC)C2CCCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-9-19-16-11-13(17)10-15(12-16)18(4-2)14-7-5-6-8-14/h10-12,14H,3-9,17H2,1-2H3
InChIKeyPGYHZNLLOQREGW-UHFFFAOYSA-N
XLogP3.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.83
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-methoxybenzene-1,3-diamine
CID 80724152
3-N-(cyclobutylmethyl)-3-N-ethyl-5-propoxybenzene-1,3-diamine
CID 107397232
3-N-cyclopropyl-5-propoxy-3-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 80724659
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
3-N-cyclopropyl-5-ethoxy-3-N-propylbenzene-1,3-diamine
CID 80722157
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
3-N-ethyl-3-N-(2-methylpropyl)-5-propoxybenzene-1,3-diamine
CID 80722610
3-N-cyclopentyl-3-N-ethyl-5-nitrobenzene-1,3-diamine
CID 80782218
2-(3-amino-N-ethyl-5-propoxyanilino)ethanol
CID 80731305
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine (CID 80724019) is 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(N(CC)C2CCCC2)c1.
What is the InChIKey of 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine?
The InChIKey is PGYHZNLLOQREGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-9-19-16-11-13(17)10-15(12-16)18(4-2)14-7-5-6-8-14/h10-12,14H,3-9,17H2,1-2H3.
What are the key properties of 3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine?
3-N-cyclopentyl-3-N-ethyl-5-propoxybenzene-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.83, 6 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-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80724019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).