3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine

C15H24N2O — CID 80735235

IUPAC3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NC2CCCC2C)c1
InChIInChI=1S/C15H24N2O/c1-3-7-18-14-9-12(16)8-13(10-14)17-15-6-4-5-11(15)2/h8-11,15,17H,3-7,16H2,1-2H3
InChIKeyHHQZNDKPRGKOFX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.66
Rot. Bonds5

About 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine

3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine (PubChem CID 80735235) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
PubChem CID80735235
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NC2CCCC2C)c1
InChIInChI=1S/C15H24N2O/c1-3-7-18-14-9-12(16)8-13(10-14)17-15-6-4-5-11(15)2/h8-11,15,17H,3-7,16H2,1-2H3
InChIKeyHHQZNDKPRGKOFX-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-3-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 80735658
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
CID 80725311
N-(2-methylcyclohexyl)-3-nitro-5-propoxyaniline
CID 80732060
5-ethoxy-3-N-(2-methylcyclopropyl)benzene-1,3-diamine
CID 80739437
3-N-(2,2-dimethylcyclopropyl)-5-propoxybenzene-1,3-diamine
CID 80738401
N-(2,3-dimethylcyclohexyl)-3-propoxyaniline
CID 64761419
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
3-N-(1,1-dioxothian-4-yl)-5-propoxybenzene-1,3-diamine
CID 80730541
5-ethoxy-3-N-(2-ethylcyclohexyl)benzene-1,3-diamine
CID 80745810
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332
4-fluoro-1-N-(2-methylcyclopentyl)-5-propoxybenzene-1,2-diamine
CID 63592295

Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine (CID 80735235) is 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(NC2CCCC2C)c1.
What is the InChIKey of 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine?
The InChIKey is HHQZNDKPRGKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-7-18-14-9-12(16)8-13(10-14)17-15-6-4-5-11(15)2/h8-11,15,17H,3-7,16H2,1-2H3.
What are the key properties of 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine?
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80735235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).