N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine

C13H24N2O — CID 62463343

IUPACN'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CCNCC(C)C)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-4-15(8-7-14-10-12(2)3)11-13-6-5-9-16-13/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3
InChIKeyZATRJNCQZQCKKL-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.35
Rot. Bonds8

About N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine

N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62463343) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62463343
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine
SMILESCCN(CCNCC(C)C)Cc1ccco1
InChIInChI=1S/C13H24N2O/c1-4-15(8-7-14-10-12(2)3)11-13-6-5-9-16-13/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3
InChIKeyZATRJNCQZQCKKL-UHFFFAOYSA-N
XLogP2.35
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
N-(cyclopentylmethyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 62556677
N-[[5-[[ethyl(furan-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62463168
N'-ethyl-N'-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62557722
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
N'-ethyl-N'-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 62558243
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(3-methylbutyl)propane-1,2-diamine
CID 62569525
2-N-(furan-2-ylmethyl)-2-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62421172
N-(2-bromophenyl)-N'-ethyl-N'-(furan-2-ylmethyl)ethane-1,2-diamine
CID 55089120
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine (CID 62463343) is N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine is CCN(CCNCC(C)C)Cc1ccco1.
What is the InChIKey of N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is ZATRJNCQZQCKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-15(8-7-14-10-12(2)3)11-13-6-5-9-16-13/h5-6,9,12,14H,4,7-8,10-11H2,1-3H3.
What are the key properties of N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine?
N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 224.35 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(furan-2-ylmethyl)-N-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62463343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).