2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile

C13H25N3O — CID 55227792

IUPAC2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
SMILESCCNC(C#N)CCN(C)CC1CCCOC1
InChIInChI=1S/C13H25N3O/c1-3-15-13(9-14)6-7-16(2)10-12-5-4-8-17-11-12/h12-13,15H,3-8,10-11H2,1-2H3
InChIKeyJSJRTPUIEDEINO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.24
Rot. Bonds7

About 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile

2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile (PubChem CID 55227792) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
PubChem CID55227792
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
SMILESCCNC(C#N)CCN(C)CC1CCCOC1
InChIInChI=1S/C13H25N3O/c1-3-15-13(9-14)6-7-16(2)10-12-5-4-8-17-11-12/h12-13,15H,3-8,10-11H2,1-2H3
InChIKeyJSJRTPUIEDEINO-UHFFFAOYSA-N
XLogP1.24
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-[methyl(oxolan-2-ylmethyl)amino]butanenitrile
CID 63029287
ethyl 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanoate
CID 63713360
N-ethyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63727001
1-N,4-N-dimethyl-1-N-(oxan-3-ylmethyl)hexane-1,4-diamine
CID 106799877
2-N-ethyl-3-N-methyl-3-N-(oxan-3-ylmethyl)butane-2,3-diamine
CID 63727178
N-heptan-2-yl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63705997
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylethane-1,2-diamine
CID 63726664
2-N-ethyl-3-methoxy-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 107505772
2-amino-2-methyl-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile
CID 63711953
N'-methyl-N'-(oxan-3-ylmethyl)-N-propylpropane-1,3-diamine
CID 63726668
N-butyl-N'-methyl-N'-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 63708148
4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-2-(propylamino)butanenitrile
CID 63236525

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile (CID 55227792) is 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile is CCNC(C#N)CCN(C)CC1CCCOC1.
What is the InChIKey of 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
The InChIKey is JSJRTPUIEDEINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-15-13(9-14)6-7-16(2)10-12-5-4-8-17-11-12/h12-13,15H,3-8,10-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile?
2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile has a molecular weight of 239.36 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[methyl(oxan-3-ylmethyl)amino]butanenitrile is sourced from PubChem (CID 55227792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).