4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide

C11H19N3O2 — CID 66426470

IUPAC4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
SMILESCc1occc1CN(C)C(CN)CC(N)=O
InChIInChI=1S/C11H19N3O2/c1-8-9(3-4-16-8)7-14(2)10(6-12)5-11(13)15/h3-4,10H,5-7,12H2,1-2H3,(H2,13,15)
InChIKeyQUKCWTQAWYOBNK-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.22
Rot. Bonds6

About 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide

4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide (PubChem CID 66426470) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide.

Molecular Properties

Compound Name4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
PubChem CID66426470
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide
SMILESCc1occc1CN(C)C(CN)CC(N)=O
InChIInChI=1S/C11H19N3O2/c1-8-9(3-4-16-8)7-14(2)10(6-12)5-11(13)15/h3-4,10H,5-7,12H2,1-2H3,(H2,13,15)
InChIKeyQUKCWTQAWYOBNK-UHFFFAOYSA-N
XLogP0.22
TPSA85.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432322
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]propanamide
CID 61371044
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]acetamide
CID 61370638
2-N-methyl-2-N-[(2-methylfuran-3-yl)methyl]heptane-1,2-diamine
CID 61426720
2-bromo-N,3-dimethyl-N-[(2-methylfuran-3-yl)methyl]butanamide
CID 61426211
2-amino-N-methyl-N-[(2-methylfuran-3-yl)methyl]propanamide
CID 61426214
N-methyl-N-[(2-methylfuran-3-yl)methyl]hydroxylamine
CID 96732982
2-[methyl-[(2-methylfuran-3-yl)methyl]amino]-2-phenylacetic acid
CID 61426935
1-(furan-3-yl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 63208203
2-[2-(aminomethyl)phenyl]-N-methyl-N-[(2-methylfuran-3-yl)methyl]acetamide
CID 81322313
4-amino-3-[methyl(pyridin-2-ylmethyl)amino]butanamide
CID 66427540
1-(2,4-dimethylphenyl)-N-methyl-N-[(2-methylfuran-3-yl)methyl]ethane-1,2-diamine
CID 61426435

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide?
The IUPAC name of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide (CID 66426470) is 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide.
What is the SMILES notation for 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide?
The canonical SMILES for 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide is Cc1occc1CN(C)C(CN)CC(N)=O.
What is the InChIKey of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide?
The InChIKey is QUKCWTQAWYOBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-9(3-4-16-8)7-14(2)10(6-12)5-11(13)15/h3-4,10H,5-7,12H2,1-2H3,(H2,13,15).
What are the key properties of 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide?
4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide has a molecular weight of 225.29 g/mol, XLogP of 0.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[methyl-[(2-methylfuran-3-yl)methyl]amino]butanamide is sourced from PubChem (CID 66426470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).