2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile

C11H23N3O — CID 81061828

IUPAC2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile
SMILESCNC(C#N)CCN(C)CCOC(C)C
InChIInChI=1S/C11H23N3O/c1-10(2)15-8-7-14(4)6-5-11(9-12)13-3/h10-11,13H,5-8H2,1-4H3
InChIKeyRCWOODTYVLOBRM-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.84
Rot. Bonds8

About 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile

2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile (PubChem CID 81061828) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile
PubChem CID81061828
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile
SMILESCNC(C#N)CCN(C)CCOC(C)C
InChIInChI=1S/C11H23N3O/c1-10(2)15-8-7-14(4)6-5-11(9-12)13-3/h10-11,13H,5-8H2,1-4H3
InChIKeyRCWOODTYVLOBRM-UHFFFAOYSA-N
XLogP0.84
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 81062010
2-(methylamino)-4-[methyl(4-methylpentan-2-yl)amino]butanenitrile
CID 63027745
2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
CID 63029274
4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)butanenitrile
CID 63028721
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butan-1-ol
CID 81063410
4-[butan-2-yl(ethyl)amino]-2-(methylamino)butanenitrile
CID 63030043
5-methyl-2-(methylamino)hexanenitrile
CID 131187113
2-ethyl-5-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803901
2-(ethylamino)-4-propan-2-yloxybutanenitrile
CID 63029764
N,N'-dimethyl-1-(3-methylphenyl)-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074601
1-(3-chlorophenyl)-N,N'-dimethyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81074249
2-(ethylamino)-2-methyl-3-[methyl(2-propan-2-yloxyethyl)amino]propanenitrile
CID 81061824

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile?
The IUPAC name of 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile (CID 81061828) is 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile.
What is the SMILES notation for 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile?
The canonical SMILES for 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile is CNC(C#N)CCN(C)CCOC(C)C.
What is the InChIKey of 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile?
The InChIKey is RCWOODTYVLOBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2)15-8-7-14(4)6-5-11(9-12)13-3/h10-11,13H,5-8H2,1-4H3.
What are the key properties of 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile?
2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile has a molecular weight of 213.32 g/mol, XLogP of 0.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanenitrile is sourced from PubChem (CID 81061828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).