5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile

C13H20N2O2 — CID 103707954

IUPAC5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
SMILESCCCC(CCO)CNCc1ccc(C#N)o1
InChIInChI=1S/C13H20N2O2/c1-2-3-11(6-7-16)9-15-10-13-5-4-12(8-14)17-13/h4-5,11,15-16H,2-3,6-7,9-10H2,1H3
InChIKeyIRACRZCDNUGEOB-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.04
Rot. Bonds8

About 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile

5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile (PubChem CID 103707954) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
PubChem CID103707954
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile
SMILESCCCC(CCO)CNCc1ccc(C#N)o1
InChIInChI=1S/C13H20N2O2/c1-2-3-11(6-7-16)9-15-10-13-5-4-12(8-14)17-13/h4-5,11,15-16H,2-3,6-7,9-10H2,1H3
InChIKeyIRACRZCDNUGEOB-UHFFFAOYSA-N
XLogP2.04
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-ethylbutylamino)methyl]furan-2-carbonitrile
CID 115653596
5-[(3-hydroxypropylamino)methyl]furan-2-carbonitrile
CID 115651259
5-[(octan-4-ylamino)methyl]furan-2-carbonitrile
CID 113250138
5-[[(3-hydroxy-4-methylpentyl)amino]methyl]furan-2-carbonitrile
CID 115654714
5-[(1-hydroxybutan-2-ylamino)methyl]furan-2-carbonitrile
CID 115651266
5-[(2,2-dicyclopropylethylamino)methyl]furan-2-carbonitrile
CID 115656602
4-[[2-(2-hydroxyethyl)pentylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103527429
3-[[(4-methylphenyl)methylamino]methyl]hexan-1-ol
CID 103707783
5-[[(2-hydroxy-2-methylpropyl)amino]methyl]furan-2-carbonitrile
CID 115653697
5-[[[2-(dimethylamino)-2-phenylethyl]amino]methyl]furan-2-carbonitrile
CID 115651465
3-[[(4-bromophenyl)methylamino]methyl]hexan-1-ol
CID 111470613
5-[(2,2-dimethylbutylamino)methyl]furan-2-carbonitrile
CID 103460965

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile?
The IUPAC name of 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile (CID 103707954) is 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile?
The canonical SMILES for 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile is CCCC(CCO)CNCc1ccc(C#N)o1.
What is the InChIKey of 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile?
The InChIKey is IRACRZCDNUGEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-3-11(6-7-16)9-15-10-13-5-4-12(8-14)17-13/h4-5,11,15-16H,2-3,6-7,9-10H2,1H3.
What are the key properties of 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile?
5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile has a molecular weight of 236.31 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-hydroxyethyl)pentylamino]methyl]furan-2-carbonitrile is sourced from PubChem (CID 103707954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).