2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine

C26H32N2O2 — CID 87686728

IUPAC2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine
SMILESNc1c(Cc2ccco2)c(C2CCCC2)c(Cc2ccco2)c(N)c1C1CCCC1
InChIInChI=1S/C26H32N2O2/c27-25-21(15-19-11-5-13-29-19)23(17-7-1-2-8-17)22(16-20-12-6-14-30-20)26(28)24(25)18-9-3-4-10-18/h5-6,11-14,17-18H,1-4,7-10,15-16,27-28H2
InChIKeyHSCMXEBDJAZZMB-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.53
Rot. Bonds6

About 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine

2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine (PubChem CID 87686728) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine.

Molecular Properties

Compound Name2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine
PubChem CID87686728
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine
SMILESNc1c(Cc2ccco2)c(C2CCCC2)c(Cc2ccco2)c(N)c1C1CCCC1
InChIInChI=1S/C26H32N2O2/c27-25-21(15-19-11-5-13-29-19)23(17-7-1-2-8-17)22(16-20-12-6-14-30-20)26(28)24(25)18-9-3-4-10-18/h5-6,11-14,17-18H,1-4,7-10,15-16,27-28H2
InChIKeyHSCMXEBDJAZZMB-UHFFFAOYSA-N
XLogP6.53
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine?
The IUPAC name of 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine (CID 87686728) is 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine.
What is the SMILES notation for 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine?
The canonical SMILES for 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine is Nc1c(Cc2ccco2)c(C2CCCC2)c(Cc2ccco2)c(N)c1C1CCCC1.
What is the InChIKey of 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine?
The InChIKey is HSCMXEBDJAZZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c27-25-21(15-19-11-5-13-29-19)23(17-7-1-2-8-17)22(16-20-12-6-14-30-20)26(28)24(25)18-9-3-4-10-18/h5-6,11-14,17-18H,1-4,7-10,15-16,27-28H2.
What are the key properties of 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine?
2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine has a molecular weight of 404.55 g/mol, XLogP of 6.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dicyclopentyl-4,6-bis(furan-2-ylmethyl)benzene-1,3-diamine is sourced from PubChem (CID 87686728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).