2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

C13H24N2O2 — CID 62569524

IUPAC2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCCNCC(C)N(C)Cc1ccco1
InChIInChI=1S/C13H24N2O2/c1-12(10-14-7-5-8-16-3)15(2)11-13-6-4-9-17-13/h4,6,9,12,14H,5,7-8,10-11H2,1-3H3
InChIKeyNWBSDEXLBMINCZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.73
Rot. Bonds9

About 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine

2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (PubChem CID 62569524) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
PubChem CID62569524
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
SMILESCOCCCNCC(C)N(C)Cc1ccco1
InChIInChI=1S/C13H24N2O2/c1-12(10-14-7-5-8-16-3)15(2)11-13-6-4-9-17-13/h4,6,9,12,14H,5,7-8,10-11H2,1-3H3
InChIKeyNWBSDEXLBMINCZ-UHFFFAOYSA-N
XLogP1.73
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
1-N-(furan-2-ylmethyl)-2-N-(2-methoxyethyl)-2-N-methylpropane-1,2-diamine
CID 62569447
2-(furan-2-ylmethoxy)-N-(3-methoxypropyl)propan-1-amine
CID 62564988
4-N-(furan-2-ylmethyl)-1-N,4-N-dimethylpentane-1,4-diamine
CID 62420064
1-[furan-2-ylmethyl(methyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317433
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
1-N-cyclopentyl-2-N-(furan-2-ylmethyl)-2-N-methylpropane-1,2-diamine
CID 62569713
1-N-tert-butyl-4-N-(furan-2-ylmethyl)-4-N-methylpentane-1,4-diamine
CID 62420435
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417

Frequently Asked Questions

What is the IUPAC name of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The IUPAC name of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine (CID 62569524) is 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is COCCCNCC(C)N(C)Cc1ccco1.
What is the InChIKey of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
The InChIKey is NWBSDEXLBMINCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(10-14-7-5-8-16-3)15(2)11-13-6-4-9-17-13/h4,6,9,12,14H,5,7-8,10-11H2,1-3H3.
What are the key properties of 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine?
2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine has a molecular weight of 240.35 g/mol, XLogP of 1.73, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(furan-2-ylmethyl)-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine is sourced from PubChem (CID 62569524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).