3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal

C11H17NO2 — CID 62275696

IUPAC3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
SMILESCN(Cc1ccoc1)CC(C)(C)C=O
InChIInChI=1S/C11H17NO2/c1-11(2,9-13)8-12(3)6-10-4-5-14-7-10/h4-5,7,9H,6,8H2,1-3H3
InChIKeyNINIWAPKZAJMRE-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.94
Rot. Bonds5

About 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal

3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal (PubChem CID 62275696) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal.

Molecular Properties

Compound Name3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
PubChem CID62275696
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal
SMILESCN(Cc1ccoc1)CC(C)(C)C=O
InChIInChI=1S/C11H17NO2/c1-11(2,9-13)8-12(3)6-10-4-5-14-7-10/h4-5,7,9H,6,8H2,1-3H3
InChIKeyNINIWAPKZAJMRE-UHFFFAOYSA-N
XLogP1.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62260161
3-[(4-chlorophenyl)methyl-methylamino]-2,2-dimethylpropanal
CID 62278141
2-ethyl-2-[[furan-3-ylmethyl(methyl)amino]methyl]butanoic acid
CID 62271233
3-chloro-N-(furan-3-ylmethyl)-N-methylpropan-1-amine
CID 61422654
4-[[furan-3-ylmethyl(methyl)amino]methyl]benzoic acid
CID 61422241
N-tert-butyl-N'-(furan-3-ylmethyl)-N'-methylbutane-1,4-diamine
CID 55072235
N-cyclopropyl-2-ethyl-N'-(furan-3-ylmethyl)-N',2-dimethylpropane-1,3-diamine
CID 62259472
1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 61422954
(2S)-1-[furan-3-ylmethyl(methyl)amino]propan-2-ol
CID 106932749
N-[2-(diethylamino)ethyl]-N'-(furan-3-ylmethyl)-N'-methylethane-1,2-diamine
CID 62557516
2-[furan-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 61426806
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951

Frequently Asked Questions

What is the IUPAC name of 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal?
The IUPAC name of 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal (CID 62275696) is 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal.
What is the SMILES notation for 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal?
The canonical SMILES for 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal is CN(Cc1ccoc1)CC(C)(C)C=O.
What is the InChIKey of 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal?
The InChIKey is NINIWAPKZAJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,9-13)8-12(3)6-10-4-5-14-7-10/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal?
3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal has a molecular weight of 195.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[furan-3-ylmethyl(methyl)amino]-2,2-dimethylpropanal is sourced from PubChem (CID 62275696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).