3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide

C12H22N2O2 — CID 103096927

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C12H22N2O2/c1-12(2,11(15)13-3)9-14-8-10-6-4-5-7-16-10/h5,7,10,14H,4,6,8-9H2,1-3H3,(H,13,15)
InChIKeyWDOWKFLHLVOKLD-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.04
Rot. Bonds5

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide (PubChem CID 103096927) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide
PubChem CID103096927
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1CCC=CO1
InChIInChI=1S/C12H22N2O2/c1-12(2,11(15)13-3)9-14-8-10-6-4-5-7-16-10/h5,7,10,14H,4,6,8-9H2,1-3H3,(H,13,15)
InChIKeyWDOWKFLHLVOKLD-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-3-propan-2-yloxypropanamide
CID 97820590
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-fluoro-2-methylpropanamide
CID 130783856
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 62064232
1-[4-(3,4-dihydro-2H-pyran-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 62064233
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-diethylpropanamide
CID 62064241
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 62064371
4-(3,4-dihydro-2H-pyran-2-ylmethylamino)butanamide
CID 62064413
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 62064535
2-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064760
N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)ethyl]acetamide
CID 62064884
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N-methylpropanamide
CID 62064941
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,N-dimethylpropanamide
CID 62065091

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide (CID 103096927) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC1CCC=CO1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide?
The InChIKey is WDOWKFLHLVOKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,11(15)13-3)9-14-8-10-6-4-5-7-16-10/h5,7,10,14H,4,6,8-9H2,1-3H3,(H,13,15).
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 103096927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).