3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide

C9H14N2O2 — CID 82075111

IUPAC3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(N)c1ccco1
InChIInChI=1S/C9H14N2O2/c1-11(2)9(12)6-7(10)8-4-3-5-13-8/h3-5,7H,6,10H2,1-2H3
InChIKeyIFUITCPPBQFSDS-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.76
Rot. Bonds3

About 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide

3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide (PubChem CID 82075111) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
PubChem CID82075111
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CC(N)c1ccco1
InChIInChI=1S/C9H14N2O2/c1-11(2)9(12)6-7(10)8-4-3-5-13-8/h3-5,7H,6,10H2,1-2H3
InChIKeyIFUITCPPBQFSDS-UHFFFAOYSA-N
XLogP0.76
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198
3-amino-3-(furan-2-yl)propanoyl iodide
CID 163471239
(1S)-1-(furan-2-yl)-3-methylbut-3-en-1-amine
CID 131000468
3-amino-N,N-dimethyl-3-phenylpropanamide
CID 24691874
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-N,N-dimethylacetamide
CID 81399983
2-amino-2-(furan-2-yl)ethanol
CID 54048773
1-(furan-2-yl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16795656
3-amino-N,N-dimethyl-3-(1H-pyrrol-2-yl)propanamide
CID 116850307
(1S)-1-(furan-2-yl)propan-1-amine;hydrochloride
CID 11615221
(5S)-5-amino-5-(furan-2-yl)pentanoic acid
CID 55264220
ethyl (E,5S)-5-amino-5-(furan-2-yl)pent-2-enoate;hydrochloride
CID 56849943
1-(furan-2-yl)butan-1-amine;hydrochloride
CID 86262899

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide?
The IUPAC name of 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide (CID 82075111) is 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide is CN(C)C(=O)CC(N)c1ccco1.
What is the InChIKey of 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide?
The InChIKey is IFUITCPPBQFSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(2)9(12)6-7(10)8-4-3-5-13-8/h3-5,7H,6,10H2,1-2H3.
What are the key properties of 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide?
3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide has a molecular weight of 182.22 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(furan-2-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 82075111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).