5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile

C14H22N2O2 — CID 111468693

IUPAC5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCC(C)(O)c1ccco1
InChIInChI=1S/C14H22N2O2/c1-13(2,7-5-8-15)10-16-11-14(3,17)12-6-4-9-18-12/h4,6,9,16-17H,5,7,10-11H2,1-3H3
InChIKeySYINVVDSUQHHEO-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.41
Rot. Bonds7

About 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile

5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile (PubChem CID 111468693) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile.

Molecular Properties

Compound Name5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
PubChem CID111468693
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile
SMILESCC(C)(CCC#N)CNCC(C)(O)c1ccco1
InChIInChI=1S/C14H22N2O2/c1-13(2,7-5-8-15)10-16-11-14(3,17)12-6-4-9-18-12/h4,6,9,16-17H,5,7,10-11H2,1-3H3
InChIKeySYINVVDSUQHHEO-UHFFFAOYSA-N
XLogP2.41
TPSA69.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(furan-2-yl)ethylamino]-4,4-dimethylpentanenitrile
CID 115651461
2-(furan-2-yl)-1-(3-phenylprop-2-enylamino)propan-2-ol
CID 111468728
1-(2-ethylbutylamino)-2-(furan-2-yl)propan-2-ol
CID 75387516
1-[(2,3-dichlorophenyl)methylamino]-2-(furan-2-yl)propan-2-ol
CID 111468634
2-[[[2-(furan-2-yl)-2-hydroxypropyl]amino]methyl]-6-methylpyridin-3-ol
CID 111468723
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
2-(furan-2-yl)-4-methoxybutan-2-ol
CID 63949969
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]pyrazine-2-carbonitrile
CID 133484221
2-(furan-2-yl)-1-[(4-methoxyphenyl)methylamino]propan-2-ol
CID 111468637
4-(tert-butylamino)-2-(furan-2-yl)butan-2-ol
CID 66001662
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
1-(butan-2-ylamino)-2-(furan-2-yl)propan-2-ol
CID 115723893

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile?
The IUPAC name of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile (CID 111468693) is 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile.
What is the SMILES notation for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile?
The canonical SMILES for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile is CC(C)(CCC#N)CNCC(C)(O)c1ccco1.
What is the InChIKey of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile?
The InChIKey is SYINVVDSUQHHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-13(2,7-5-8-15)10-16-11-14(3,17)12-6-4-9-18-12/h4,6,9,16-17H,5,7,10-11H2,1-3H3.
What are the key properties of 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile?
5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile has a molecular weight of 250.34 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-4,4-dimethylpentanenitrile is sourced from PubChem (CID 111468693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).