4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide

C12H21N3O2 — CID 66431862

IUPAC4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N(C)Cc1ccoc1
InChIInChI=1S/C12H21N3O2/c1-14(2)12(16)6-11(7-13)15(3)8-10-4-5-17-9-10/h4-5,9,11H,6-8,13H2,1-3H3
InChIKeyJKNOYRRETINKIE-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.52
Rot. Bonds6

About 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide

4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide (PubChem CID 66431862) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
PubChem CID66431862
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CC(CN)N(C)Cc1ccoc1
InChIInChI=1S/C12H21N3O2/c1-14(2)12(16)6-11(7-13)15(3)8-10-4-5-17-9-10/h4-5,9,11H,6-8,13H2,1-3H3
InChIKeyJKNOYRRETINKIE-UHFFFAOYSA-N
XLogP0.52
TPSA62.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[furan-3-ylmethyl(methyl)amino]propan-1-ol
CID 104710880
4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
CID 66431838
tert-butyl N-[3-amino-2-[furan-3-ylmethyl(methyl)amino]propyl]carbamate
CID 102729720
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
3-(furan-3-ylmethylamino)-N,N-dimethylbutanamide
CID 115711461
N-(furan-3-ylmethyl)-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 61422487
3-N-(furan-3-ylmethyl)-3-N-methylbutane-1,3-diamine
CID 61421973
2-[furan-3-ylmethyl(methyl)amino]butanehydrazide
CID 63584965
(2R)-2-amino-N-(furan-3-ylmethyl)-N-methylpropanamide
CID 78973579
1-cyclopentyl-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 62071760
(2S)-2-[furan-3-ylmethyl(methyl)amino]-2-(1,3,5-trimethylpyrazol-4-yl)acetic acid
CID 97199161
1-(3,5-dichlorophenyl)-N-(furan-3-ylmethyl)-N-methylethane-1,2-diamine
CID 61421444

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide?
The IUPAC name of 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide (CID 66431862) is 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide?
The canonical SMILES for 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide is CN(C)C(=O)CC(CN)N(C)Cc1ccoc1.
What is the InChIKey of 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide?
The InChIKey is JKNOYRRETINKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14(2)12(16)6-11(7-13)15(3)8-10-4-5-17-9-10/h4-5,9,11H,6-8,13H2,1-3H3.
What are the key properties of 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide?
4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide has a molecular weight of 239.32 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[furan-3-ylmethyl(methyl)amino]-N,N-dimethylbutanamide is sourced from PubChem (CID 66431862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).