3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile

C11H20N2O — CID 62141602

IUPAC3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)COC1CCC1
InChIInChI=1S/C11H20N2O/c1-9(2)13-11(3,7-12)8-14-10-5-4-6-10/h9-10,13H,4-6,8H2,1-3H3
InChIKeyNPCAKYASKMHYNX-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.84
Rot. Bonds5

About 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile

3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 62141602) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
PubChem CID62141602
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C)(C#N)COC1CCC1
InChIInChI=1S/C11H20N2O/c1-9(2)13-11(3,7-12)8-14-10-5-4-6-10/h9-10,13H,4-6,8H2,1-3H3
InChIKeyNPCAKYASKMHYNX-UHFFFAOYSA-N
XLogP1.84
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclobutyloxy-2-(cyclopropylamino)-2-methylpropanenitrile
CID 62141603
2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanenitrile
CID 102983535
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 103537784
4-(4-methoxypiperidin-1-yl)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727272
3-(3,4-dimethylcyclohexyl)oxy-2-methyl-2-(methylamino)propanenitrile
CID 64746571
2-methyl-3-[methyl-(1-methylpiperidin-3-yl)amino]-2-(propan-2-ylamino)propanenitrile
CID 62546117
3-cyclopentyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63905879
2,2-dimethylpropoxycyclobutane;propane-1,2-diol
CID 174681629
5-cyclopentylsulfanyl-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63115357
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-(propan-2-ylamino)propanenitrile
CID 102727949
3-cycloheptyloxy-2-cyclopropyl-2-(methylamino)propanenitrile
CID 63908827
4-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)butan-1-ol
CID 64810748

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile (CID 62141602) is 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C)(C#N)COC1CCC1.
What is the InChIKey of 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is NPCAKYASKMHYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)13-11(3,7-12)8-14-10-5-4-6-10/h9-10,13H,4-6,8H2,1-3H3.
What are the key properties of 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile?
3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 196.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-2-methyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 62141602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).