3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile

C11H20N2O2 — CID 106298054

IUPAC3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile
SMILESCCC(CC#N)NC1(CO)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-2-10(3-6-12)13-11(9-14)4-7-15-8-5-11/h10,13-14H,2-5,7-9H2,1H3
InChIKeyMQZLFPYNQIHOBF-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.81
Rot. Bonds5

About 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile

3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile (PubChem CID 106298054) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile.

Molecular Properties

Compound Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile
PubChem CID106298054
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile
SMILESCCC(CC#N)NC1(CO)CCOCC1
InChIInChI=1S/C11H20N2O2/c1-2-10(3-6-12)13-11(9-14)4-7-15-8-5-11/h10,13-14H,2-5,7-9H2,1H3
InChIKeyMQZLFPYNQIHOBF-UHFFFAOYSA-N
XLogP0.81
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,3,3-Trifluoro-2-[[[4-(hydroxymethyl)oxan-4-yl]amino]methyl]propanenitrile
CID 114170116
[4-(2-Methylpropylamino)oxan-4-yl]methanol
CID 18316441
4-(Propan-2-ylamino)oxane-4-carbonitrile
CID 43608752
[4-(Propan-2-ylamino)oxan-4-yl]methanol
CID 61047996
[4-(Ethylamino)oxan-4-yl]methanol
CID 61055496
[4-(2,2-Dimethylpropylamino)oxan-4-yl]methanol
CID 106297058
Ethane;4-(methylamino)oxane-4-carbonitrile;4-(methylamino)oxan-3-ol
CID 144014707
Ethane;[4-(ethylamino)oxan-4-yl]methanol
CID 177317249
2-(Cyclopropylamino)-2-methyl-4-(oxan-4-ylmethoxy)butanenitrile
CID 55066158
2-Methyl-2-(oxan-4-ylamino)propan-1-ol
CID 60777961
4-(Butan-2-ylamino)oxane-4-carbonitrile
CID 61023503
[4-(Butan-2-ylamino)oxan-4-yl]methanol
CID 61048213

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile?
The IUPAC name of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile (CID 106298054) is 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile.
What is the SMILES notation for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile?
The canonical SMILES for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile is CCC(CC#N)NC1(CO)CCOCC1.
What is the InChIKey of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile?
The InChIKey is MQZLFPYNQIHOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-2-10(3-6-12)13-11(9-14)4-7-15-8-5-11/h10,13-14H,2-5,7-9H2,1H3.
What are the key properties of 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile?
3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile has a molecular weight of 212.29 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(hydroxymethyl)oxan-4-yl]amino]pentanenitrile is sourced from PubChem (CID 106298054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).