2-[amino(oxan-4-yl)methyl]butanenitrile

C10H18N2O — CID 116946266

IUPAC2-[amino(oxan-4-yl)methyl]butanenitrile
SMILESCCC(C#N)C(N)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-8(7-11)10(12)9-3-5-13-6-4-9/h8-10H,2-6,12H2,1H3
InChIKeyWEMHMITVSPXASA-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.29
Rot. Bonds3

About 2-[amino(oxan-4-yl)methyl]butanenitrile

2-[amino(oxan-4-yl)methyl]butanenitrile (PubChem CID 116946266) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-[amino(oxan-4-yl)methyl]butanenitrile.

Molecular Properties

Compound Name2-[amino(oxan-4-yl)methyl]butanenitrile
PubChem CID116946266
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-[amino(oxan-4-yl)methyl]butanenitrile
SMILESCCC(C#N)C(N)C1CCOCC1
InChIInChI=1S/C10H18N2O/c1-2-8(7-11)10(12)9-3-5-13-6-4-9/h8-10H,2-6,12H2,1H3
InChIKeyWEMHMITVSPXASA-UHFFFAOYSA-N
XLogP1.29
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[amino(oxan-4-yl)methyl]butanenitrile?
The IUPAC name of 2-[amino(oxan-4-yl)methyl]butanenitrile (CID 116946266) is 2-[amino(oxan-4-yl)methyl]butanenitrile.
What is the SMILES notation for 2-[amino(oxan-4-yl)methyl]butanenitrile?
The canonical SMILES for 2-[amino(oxan-4-yl)methyl]butanenitrile is CCC(C#N)C(N)C1CCOCC1.
What is the InChIKey of 2-[amino(oxan-4-yl)methyl]butanenitrile?
The InChIKey is WEMHMITVSPXASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-8(7-11)10(12)9-3-5-13-6-4-9/h8-10H,2-6,12H2,1H3.
What are the key properties of 2-[amino(oxan-4-yl)methyl]butanenitrile?
2-[amino(oxan-4-yl)methyl]butanenitrile has a molecular weight of 182.27 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(oxan-4-yl)methyl]butanenitrile is sourced from PubChem (CID 116946266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).