3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide

C15H27N3O2 — CID 106914720

IUPAC3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide
SMILESCCC(N)C(c1ccc(C)o1)N(C)CC(C)C(=O)NC
InChIInChI=1S/C15H27N3O2/c1-6-12(16)14(13-8-7-11(3)20-13)18(5)9-10(2)15(19)17-4/h7-8,10,12,14H,6,9,16H2,1-5H3,(H,17,19)
InChIKeyQCBRVAJEDYZMHQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.68
Rot. Bonds7

About 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide

3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide (PubChem CID 106914720) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide
PubChem CID106914720
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide
SMILESCCC(N)C(c1ccc(C)o1)N(C)CC(C)C(=O)NC
InChIInChI=1S/C15H27N3O2/c1-6-12(16)14(13-8-7-11(3)20-13)18(5)9-10(2)15(19)17-4/h7-8,10,12,14H,6,9,16H2,1-5H3,(H,17,19)
InChIKeyQCBRVAJEDYZMHQ-UHFFFAOYSA-N
XLogP1.68
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[1-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]ethyl]furan-2-carboxylate
CID 103722513
2-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]cyclohexan-1-ol
CID 102631497
1-N-methyl-1-(5-methylfuran-2-yl)-1-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 63015492
2-amino-3-(dimethylamino)-3-(5-methylfuran-2-yl)propan-1-ol
CID 116911635
methyl 2-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]propanoate
CID 103722524
N,2-dimethyl-3-[methyl(3-oxopentan-2-yl)amino]propanamide
CID 106916625
ethane;(1R)-1-(5-methylfuran-2-yl)propan-1-amine
CID 142856729
1-N-[2-(dimethylamino)ethyl]-1-N-methyl-1-(5-methylfuran-2-yl)propane-1,2-diamine
CID 55225778
3-[(5-formylfuran-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 106916131
3-[1-(2-hydroxy-5-methylphenyl)ethyl-methylamino]-N,2-dimethylpropanamide
CID 105400828
3-[[1-(4-ethylphenyl)-1-oxopropan-2-yl]-methylamino]-N,2-dimethylpropanamide
CID 106916575
N',N'-dimethyl-2-(5-methylfuran-2-yl)propanehydrazide
CID 116848155

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide?
The IUPAC name of 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide (CID 106914720) is 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide?
The canonical SMILES for 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide is CCC(N)C(c1ccc(C)o1)N(C)CC(C)C(=O)NC.
What is the InChIKey of 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide?
The InChIKey is QCBRVAJEDYZMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-6-12(16)14(13-8-7-11(3)20-13)18(5)9-10(2)15(19)17-4/h7-8,10,12,14H,6,9,16H2,1-5H3,(H,17,19).
What are the key properties of 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide?
3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide has a molecular weight of 281.40 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(5-methylfuran-2-yl)butyl]-methylamino]-N,2-dimethylpropanamide is sourced from PubChem (CID 106914720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).