N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine

C15H22N2O2 — CID 170781680

IUPACN,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
SMILESc1coc(CNCCCCCNCc2ccco2)c1
InChIInChI=1S/C15H22N2O2/c1(2-8-16-12-14-6-4-10-18-14)3-9-17-13-15-7-5-11-19-15/h4-7,10-11,16-17H,1-3,8-9,12-13H2
InChIKeyFPHFRPZSJXPKIQ-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.92
Rot. Bonds10

About N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine

N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine (PubChem CID 170781680) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
PubChem CID170781680
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
SMILESc1coc(CNCCCCCNCc2ccco2)c1
InChIInChI=1S/C15H22N2O2/c1(2-8-16-12-14-6-4-10-18-14)3-9-17-13-15-7-5-11-19-15/h4-7,10-11,16-17H,1-3,8-9,12-13H2
InChIKeyFPHFRPZSJXPKIQ-UHFFFAOYSA-N
XLogP2.92
TPSA50.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(furan-2-ylmethyl)hexane-1,6-diamine
CID 61150200
3-(aziridin-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 22213998
6-(2-ethoxyphenoxy)-N-(furan-2-ylmethyl)hexan-1-amine
CID 2364400
3-(furan-2-ylmethylamino)propane-1-sulfinate
CID 174965777
5-(furan-2-ylmethylamino)pentan-2-ol
CID 79200814
N-(furan-2-ylmethyl)-4-(2-methylphenoxy)butan-1-amine
CID 16614204
N-(furan-2-ylmethyl)-3-propan-2-yloxypropan-1-amine
CID 3155080
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
methyl 4-(furan-2-ylmethylamino)butanoate
CID 30403384
5-(furan-2-ylmethylamino)-2-methylpentan-1-ol
CID 103859513
4-(furan-2-ylmethylamino)butanehydrazide
CID 30031566
4-(furan-2-ylmethylamino)-N'-hydroxybutanimidamide
CID 77029971

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine?
The IUPAC name of N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine (CID 170781680) is N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine is c1coc(CNCCCCCNCc2ccco2)c1.
What is the InChIKey of N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine?
The InChIKey is FPHFRPZSJXPKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1(2-8-16-12-14-6-4-10-18-14)3-9-17-13-15-7-5-11-19-15/h4-7,10-11,16-17H,1-3,8-9,12-13H2.
What are the key properties of N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine?
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine has a molecular weight of 262.35 g/mol, XLogP of 2.92, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine is sourced from PubChem (CID 170781680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).