2-amino-4-(oxan-4-yloxy)butanenitrile

C9H16N2O2 — CID 63055086

IUPAC2-amino-4-(oxan-4-yloxy)butanenitrile
SMILESN#CC(N)CCOC1CCOCC1
InChIInChI=1S/C9H16N2O2/c10-7-8(11)1-6-13-9-2-4-12-5-3-9/h8-9H,1-6,11H2
InChIKeyKBPULWTUEWBTKQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.42
Rot. Bonds4

About 2-amino-4-(oxan-4-yloxy)butanenitrile

2-amino-4-(oxan-4-yloxy)butanenitrile (PubChem CID 63055086) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-amino-4-(oxan-4-yloxy)butanenitrile.

Molecular Properties

Compound Name2-amino-4-(oxan-4-yloxy)butanenitrile
PubChem CID63055086
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-amino-4-(oxan-4-yloxy)butanenitrile
SMILESN#CC(N)CCOC1CCOCC1
InChIInChI=1S/C9H16N2O2/c10-7-8(11)1-6-13-9-2-4-12-5-3-9/h8-9H,1-6,11H2
InChIKeyKBPULWTUEWBTKQ-UHFFFAOYSA-N
XLogP0.42
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-3-(oxan-4-yloxy)propanenitrile
CID 94047569
2-amino-4-(oxan-4-ylmethoxy)butanenitrile
CID 63055278
4-(oxan-4-yloxy)-2-(propan-2-ylamino)butanenitrile
CID 63055085
2-amino-3-(oxolan-3-yloxy)propanenitrile
CID 63556703
2-amino-4-(3,5-dimethylcyclohexyl)oxybutanenitrile
CID 64728636
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
ethyl 2-(cyclopropylamino)-4-(oxan-4-yloxy)butanoate
CID 55144526
4-cyclopentyloxy-2-(methylamino)butanenitrile
CID 63030165
2-amino-4-(3-methoxypropoxy)butanenitrile
CID 63028773
N-(3-amino-4-methylpentyl)-N-methyl-3-(oxan-4-yloxy)propanamide
CID 119659339
4-[2-(oxan-4-yloxy)ethyl]aniline
CID 61286553
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(oxan-4-yloxy)butanenitrile?
The IUPAC name of 2-amino-4-(oxan-4-yloxy)butanenitrile (CID 63055086) is 2-amino-4-(oxan-4-yloxy)butanenitrile.
What is the SMILES notation for 2-amino-4-(oxan-4-yloxy)butanenitrile?
The canonical SMILES for 2-amino-4-(oxan-4-yloxy)butanenitrile is N#CC(N)CCOC1CCOCC1.
What is the InChIKey of 2-amino-4-(oxan-4-yloxy)butanenitrile?
The InChIKey is KBPULWTUEWBTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-7-8(11)1-6-13-9-2-4-12-5-3-9/h8-9H,1-6,11H2.
What are the key properties of 2-amino-4-(oxan-4-yloxy)butanenitrile?
2-amino-4-(oxan-4-yloxy)butanenitrile has a molecular weight of 184.24 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(oxan-4-yloxy)butanenitrile is sourced from PubChem (CID 63055086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).