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

C14H22N2O — CID 80725311

IUPAC3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NC2CCCC2)c1
InChIInChI=1S/C14H22N2O/c1-2-7-17-14-9-11(15)8-13(10-14)16-12-5-3-4-6-12/h8-10,12,16H,2-7,15H2,1H3
InChIKeyMJULTANNMUOODM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.41
Rot. Bonds5

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

3-N-cyclopentyl-5-propoxybenzene-1,3-diamine (PubChem CID 80725311) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
PubChem CID80725311
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-N-cyclopentyl-5-propoxybenzene-1,3-diamine
SMILESCCCOc1cc(N)cc(NC2CCCC2)c1
InChIInChI=1S/C14H22N2O/c1-2-7-17-14-9-11(15)8-13(10-14)16-12-5-3-4-6-12/h8-10,12,16H,2-7,15H2,1H3
InChIKeyMJULTANNMUOODM-UHFFFAOYSA-N
XLogP3.41
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.41
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

3-N-(1,1-dioxothian-4-yl)-5-propoxybenzene-1,3-diamine
CID 80730541
3-N-(2-methylcyclopentyl)-5-propoxybenzene-1,3-diamine
CID 80735235
3-cyclopentyloxy-5-propoxyaniline
CID 80749428
3-N-(2,2-dimethylcyclopropyl)-5-propoxybenzene-1,3-diamine
CID 80738401
3-(cyclopentylmethoxy)-5-propoxyaniline
CID 80749152
5-ethoxy-3-N-(3-methoxycyclobutyl)benzene-1,3-diamine
CID 114118750
N-cyclobutyl-3-nitro-5-propoxyaniline
CID 80724511
3-N-(3,5-dimethylphenyl)-5-propoxybenzene-1,3-diamine
CID 80722258
5-propoxy-3-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)benzene-1,3-diamine
CID 80740009
3-N-[(3-methylcyclopentyl)methyl]-5-propoxybenzene-1,3-diamine
CID 107411332
3-N-(3-methylbutan-2-yl)-5-propoxybenzene-1,3-diamine
CID 80723697
3-N-(4-ethylcyclohexyl)-5-methoxybenzene-1,3-diamine
CID 80745621

Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine?
The IUPAC name of 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine (CID 80725311) is 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine is CCCOc1cc(N)cc(NC2CCCC2)c1.
What is the InChIKey of 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine?
The InChIKey is MJULTANNMUOODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-7-17-14-9-11(15)8-13(10-14)16-12-5-3-4-6-12/h8-10,12,16H,2-7,15H2,1H3.
What are the key properties of 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine?
3-N-cyclopentyl-5-propoxybenzene-1,3-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopentyl-5-propoxybenzene-1,3-diamine is sourced from PubChem (CID 80725311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).