2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile

C12H22N2O2 — CID 62384296

IUPAC2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
SMILESCCNC(C)(C#N)COCC1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-3-14-12(2,9-13)10-16-8-11-4-6-15-7-5-11/h11,14H,3-8,10H2,1-2H3
InChIKeyGQRQEMQIVPRKKJ-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.32
Rot. Bonds6

About 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile

2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile (PubChem CID 62384296) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
PubChem CID62384296
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile
SMILESCCNC(C)(C#N)COCC1CCOCC1
InChIInChI=1S/C12H22N2O2/c1-3-14-12(2,9-13)10-16-8-11-4-6-15-7-5-11/h11,14H,3-8,10H2,1-2H3
InChIKeyGQRQEMQIVPRKKJ-UHFFFAOYSA-N
XLogP1.32
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclohexylmethoxy)-2-methyl-2-(propylamino)propanenitrile
CID 62384117
2-cyclopropyl-3-(cyclopropylmethoxy)-2-(ethylamino)propanenitrile
CID 63907548
2-(ethylamino)-2-methyl-4-(oxan-4-ylsulfanyl)butanenitrile
CID 62991048
2-methyl-2-(oxan-4-ylmethylamino)propanenitrile
CID 115129369
2,2-dimethyl-3-(oxan-4-ylmethoxy)propan-1-amine
CID 79627779
2-(ethylamino)-2-methyl-6-(oxan-4-ylmethoxy)hexan-1-ol
CID 64808670
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanoic acid
CID 62385992
2-methyl-2-(methylamino)-3-(oxan-4-ylmethoxy)propan-1-ol
CID 64808669
2-methyl-3-(oxan-4-ylmethoxy)-2-(propylamino)propanamide
CID 55066400
2-(ethylamino)-2-methyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958525
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
2,2-dimethyl-3-(oxan-4-ylmethylamino)propanenitrile
CID 104587192

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile (CID 62384296) is 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile is CCNC(C)(C#N)COCC1CCOCC1.
What is the InChIKey of 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile?
The InChIKey is GQRQEMQIVPRKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-14-12(2,9-13)10-16-8-11-4-6-15-7-5-11/h11,14H,3-8,10H2,1-2H3.
What are the key properties of 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile?
2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile has a molecular weight of 226.32 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-3-(oxan-4-ylmethoxy)propanenitrile is sourced from PubChem (CID 62384296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).