5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile

C11H20N2O2 — CID 81130543

IUPAC5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
SMILESN#CCCCCNCC1(O)CCOCC1
InChIInChI=1S/C11H20N2O2/c12-6-2-1-3-7-13-10-11(14)4-8-15-9-5-11/h13-14H,1-5,7-10H2
InChIKeyOSPAQGCZWBNDAU-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.81
Rot. Bonds6

About 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile

5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile (PubChem CID 81130543) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile.

Molecular Properties

Compound Name5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
PubChem CID81130543
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
SMILESN#CCCCCNCC1(O)CCOCC1
InChIInChI=1S/C11H20N2O2/c12-6-2-1-3-7-13-10-11(14)4-8-15-9-5-11/h13-14H,1-5,7-10H2
InChIKeyOSPAQGCZWBNDAU-UHFFFAOYSA-N
XLogP0.81
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(1-hydroxycycloheptyl)methylamino]pentanenitrile
CID 65123008
6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
CID 81131310
4-[(2-butoxyethylamino)methyl]oxan-4-ol
CID 81131048
4-[[2-(trifluoromethylsulfanyl)ethylamino]methyl]oxan-4-ol
CID 116615682
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
3-[(2-hydroxyethylamino)methyl]oxolan-3-ol
CID 106100620
4-[[(3-hydroxy-2-methylpropyl)amino]methyl]oxan-4-ol
CID 115746977
3-[(but-3-ynylamino)methyl]oxolan-3-ol
CID 106100602
4-[[1-(hydroxymethyl)cyclopentyl]methylamino]butanenitrile
CID 115359670
1-[(3-morpholin-4-ylpropylamino)methyl]cyclohexan-1-ol
CID 60899322
1-[(4-hydroxybutylamino)methyl]cyclopentan-1-ol
CID 65108735
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile?
The IUPAC name of 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile (CID 81130543) is 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile.
What is the SMILES notation for 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile?
The canonical SMILES for 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile is N#CCCCCNCC1(O)CCOCC1.
What is the InChIKey of 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile?
The InChIKey is OSPAQGCZWBNDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c12-6-2-1-3-7-13-10-11(14)4-8-15-9-5-11/h13-14H,1-5,7-10H2.
What are the key properties of 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile?
5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile has a molecular weight of 212.29 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile is sourced from PubChem (CID 81130543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).