5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile

C12H16N2O2 — CID 115685161

IUPAC5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile
SMILESCC(CO)(NCc1ccc(C#N)o1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-12(8-15,9-2-3-9)14-7-11-5-4-10(6-13)16-11/h4-5,9,14-15H,2-3,7-8H2,1H3
InChIKeyBGEQRXNUFPKWIS-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.40
Rot. Bonds5

About 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile

5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile (PubChem CID 115685161) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile
PubChem CID115685161
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile
SMILESCC(CO)(NCc1ccc(C#N)o1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-12(8-15,9-2-3-9)14-7-11-5-4-10(6-13)16-11/h4-5,9,14-15H,2-3,7-8H2,1H3
InChIKeyBGEQRXNUFPKWIS-UHFFFAOYSA-N
XLogP1.40
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-((Furan-2-ylmethyl)amino)propanenitrile
CID 2063331
3-{[(Furan-2-yl)methyl]amino}propan-1-ol
CID 3153468
N-(furan-2-ylmethyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 652125
2-[(5-Methyl-furan-2-ylmethyl)-amino]-ethanol
CID 3154446
N-(tert-butyl)-N-(2-furylmethyl)amine
CID 4722608
(2-Methoxyethyl)[(5-methylfuran-2-yl)methyl]amine
CID 4777616
N-[(5-methylfuran-2-yl)methyl]cyclopropanamine
CID 16781359
[(Furan-2-yl)methyl](3-methylbutyl)amine hydrochloride
CID 17206950
[(5-Methylfuran-2-yl)methyl](4-methylpentyl)amine
CID 60743879
[(Furan-2-yl)methyl](2-methylbutyl)amine hydrochloride
CID 165994434
2-[(Furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 2113352
2-[3-(Furan-2-ylmethylamino)-5,5-dimethylcyclohex-2-en-1-ylidene]propanedinitrile
CID 2323388

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile (CID 115685161) is 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile is CC(CO)(NCc1ccc(C#N)o1)C1CC1.
What is the InChIKey of 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile?
The InChIKey is BGEQRXNUFPKWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-12(8-15,9-2-3-9)14-7-11-5-4-10(6-13)16-11/h4-5,9,14-15H,2-3,7-8H2,1H3.
What are the key properties of 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile?
5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-cyclopropyl-1-hydroxypropan-2-yl)amino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 115685161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).