[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone

C12H18N2O3 — CID 126777161

IUPAC[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1ccc(CN)o1
InChIInChI=1S/C12H18N2O3/c1-8-6-16-7-9(2)14(8)12(15)11-4-3-10(5-13)17-11/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyCZVUWCSEHRTNHL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.99
Rot. Bonds2

About [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone

[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone (PubChem CID 126777161) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone
PubChem CID126777161
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone
SMILESCC1COCC(C)N1C(=O)c1ccc(CN)o1
InChIInChI=1S/C12H18N2O3/c1-8-6-16-7-9(2)14(8)12(15)11-4-3-10(5-13)17-11/h3-4,8-9H,5-7,13H2,1-2H3
InChIKeyCZVUWCSEHRTNHL-UHFFFAOYSA-N
XLogP0.99
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Furoyl)piperazine
CID 550206
4-(Furan-2-carbonyl)piperazine-1-carboxamide
CID 762331
4-Acetyl 1-(2-furoyl)piperazine
CID 565340
1-(5-Methylfuran-2-carbonyl)piperidine-2-carboxylic acid
CID 573285
n-(2-Furylmethyl)-2-phenoxyacetamide
CID 240163
N-(2-Furoyl)glycine methyl ester
CID 518748
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
(4-Isopropyl-piperazin-1-yl)-(5-piperidin-1-ylmethylfuran-2-yl)-methanone
CID 11244101
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 694979
N-(1,2,2,6,6-pentamethyl-4-piperidinyl)-2-furamide
CID 723466
5-[(4-ethoxyphenoxy)methyl]-N-isopropyl-2-furamide
CID 892168
N,N'-1,2-ethanediylbis(5-methyl-2-furamide)
CID 1769743

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone (CID 126777161) is [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone is CC1COCC(C)N1C(=O)c1ccc(CN)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
The InChIKey is CZVUWCSEHRTNHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-6-16-7-9(2)14(8)12(15)11-4-3-10(5-13)17-11/h3-4,8-9H,5-7,13H2,1-2H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone has a molecular weight of 238.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(3,5-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 126777161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).