5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide

C12H20N2O2 — CID 103811384

IUPAC5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H20N2O2/c1-4-12(3,5-2)14-11(15)10-7-6-9(8-13)16-10/h6-7H,4-5,8,13H2,1-3H3,(H,14,15)
InChIKeyHEXRFGOWGHAAPV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.05
Rot. Bonds5

About 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide

5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide (PubChem CID 103811384) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
PubChem CID103811384
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide
SMILESCCC(C)(CC)NC(=O)c1ccc(CN)o1
InChIInChI=1S/C12H20N2O2/c1-4-12(3,5-2)14-11(15)10-7-6-9(8-13)16-10/h6-7H,4-5,8,13H2,1-3H3,(H,14,15)
InChIKeyHEXRFGOWGHAAPV-UHFFFAOYSA-N
XLogP2.05
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551
N-[3-(aminomethyl)pentan-3-yl]-5-(methoxymethyl)furan-2-carboxamide
CID 119569164
4-(2-aminoethyl)-N-(3-methylpentan-3-yl)benzamide
CID 114174177
5-(aminomethyl)-N-octylfuran-2-carboxamide
CID 115567865
N-tert-butyl-5-butylfuran-2-carboxamide
CID 70989839
2-[[[5-(aminomethyl)furan-2-carbonyl]amino]methyl]-4,4-dimethylpentanoic acid
CID 107475583
N-(2-cyanobutan-2-yl)-5-ethylfuran-2-carboxamide
CID 78989486
5-(aminomethyl)-N-(3-hydroxypentyl)furan-2-carboxamide
CID 115739064
N-(1-amino-3-methylpentan-3-yl)furan-2-carboxamide
CID 106164752
1-[5-(aminomethyl)furan-2-yl]-2,2,2-trifluoroethanone
CID 82505041
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide (CID 103811384) is 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide is CCC(C)(CC)NC(=O)c1ccc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide?
The InChIKey is HEXRFGOWGHAAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-4-12(3,5-2)14-11(15)10-7-6-9(8-13)16-10/h6-7H,4-5,8,13H2,1-3H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide?
5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(3-methylpentan-3-yl)furan-2-carboxamide is sourced from PubChem (CID 103811384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).