3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide

C12H20N2O2 — CID 81087637

IUPAC3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccc(C)o1
InChIInChI=1S/C12H20N2O2/c1-3-10(7-13)6-12(15)14-8-11-5-4-9(2)16-11/h4-5,10H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeyOCRQXFLWERWFCZ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.58
Rot. Bonds6

About 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide

3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide (PubChem CID 81087637) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
PubChem CID81087637
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
SMILESCCC(CN)CC(=O)NCc1ccc(C)o1
InChIInChI=1S/C12H20N2O2/c1-3-10(7-13)6-12(15)14-8-11-5-4-9(2)16-11/h4-5,10H,3,6-8,13H2,1-2H3,(H,14,15)
InChIKeyOCRQXFLWERWFCZ-UHFFFAOYSA-N
XLogP1.58
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 110731621
5-amino-4-methyl-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 82012174
3-(aminomethyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 106371544
3-amino-2-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62524542
3-(aminomethyl)-N-[(4-nitrophenyl)methyl]pentanamide
CID 81075966
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
3-(ethylamino)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 62834819
3-(aminomethyl)-N-[(2-chlorophenyl)methyl]pentanamide
CID 81070620
3-(aminomethyl)-N-[(5-methylpyrazin-2-yl)methyl]pentanamide
CID 81080396
3-amino-N-[(5-methylfuran-2-yl)methyl]-2-phenylpropanamide
CID 62879092
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436
2-[1-(aminomethyl)cyclohexyl]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 104678131

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The IUPAC name of 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide (CID 81087637) is 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The canonical SMILES for 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide is CCC(CN)CC(=O)NCc1ccc(C)o1.
What is the InChIKey of 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide?
The InChIKey is OCRQXFLWERWFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-3-10(7-13)6-12(15)14-8-11-5-4-9(2)16-11/h4-5,10H,3,6-8,13H2,1-2H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide?
3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide has a molecular weight of 224.30 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide is sourced from PubChem (CID 81087637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).