2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial

C11H15NO3 — CID 143644084

IUPAC2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial
SMILESCN(Cc1ccco1)CC(C=O)CC=O
InChIInChI=1S/C11H15NO3/c1-12(7-10(9-14)4-5-13)8-11-3-2-6-15-11/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyVWXJTEVSHGIMTG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.12
Rot. Bonds7

About 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial

2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial (PubChem CID 143644084) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial.

Molecular Properties

Compound Name2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial
PubChem CID143644084
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial
SMILESCN(Cc1ccco1)CC(C=O)CC=O
InChIInChI=1S/C11H15NO3/c1-12(7-10(9-14)4-5-13)8-11-3-2-6-15-11/h2-3,5-6,9-10H,4,7-8H2,1H3
InChIKeyVWXJTEVSHGIMTG-UHFFFAOYSA-N
XLogP1.12
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-2-yl)-N-(furan-2-ylmethyl)-N-methylmethanamine;hydrochloride
CID 3028206
2-[furan-2-ylmethyl(methyl)amino]-1-phenylethanol
CID 3412322
N'-(furan-2-ylmethyl)-N'-methyl-1-phenylethane-1,2-diamine
CID 43527008
N'-(furan-2-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 60843082
4-[furan-2-ylmethyl(methyl)amino]butanenitrile
CID 43396926
3-[4-[[furan-2-ylmethyl(methyl)amino]methyl]phenyl]prop-2-enoic acid
CID 76908318
4-[furan-2-ylmethyl(methyl)amino]butan-1-ol
CID 43527145
N'-(furan-2-ylmethyl)-N'-methyl-N-(2-methylpropyl)propane-1,3-diamine
CID 62420801
1-(4-aminophenyl)-2-[furan-2-ylmethyl(methyl)amino]ethanol
CID 62264881
N'-(furan-2-ylmethyl)-N',2-dimethylbutane-1,4-diamine
CID 81079891
N'-(furan-2-ylmethyl)-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62617540
1-[furan-2-ylmethyl(methyl)amino]butan-2-one
CID 62038679

Frequently Asked Questions

What is the IUPAC name of 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial?
The IUPAC name of 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial (CID 143644084) is 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial.
What is the SMILES notation for 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial?
The canonical SMILES for 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial is CN(Cc1ccco1)CC(C=O)CC=O.
What is the InChIKey of 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial?
The InChIKey is VWXJTEVSHGIMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12(7-10(9-14)4-5-13)8-11-3-2-6-15-11/h2-3,5-6,9-10H,4,7-8H2,1H3.
What are the key properties of 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial?
2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial has a molecular weight of 209.25 g/mol, XLogP of 1.12, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[furan-2-ylmethyl(methyl)amino]methyl]butanedial is sourced from PubChem (CID 143644084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).