3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide

C12H22N2O2 — CID 115749006

IUPAC3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1=CCCOC1
InChIInChI=1S/C12H22N2O2/c1-12(2,11(15)13-3)9-14-7-10-5-4-6-16-8-10/h5,14H,4,6-9H2,1-3H3,(H,13,15)
InChIKeyMYGFVHYRZZEQAY-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.69
Rot. Bonds5

About 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide

3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide (PubChem CID 115749006) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide
PubChem CID115749006
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNCC1=CCCOC1
InChIInChI=1S/C12H22N2O2/c1-12(2,11(15)13-3)9-14-7-10-5-4-6-16-8-10/h5,14H,4,6-9H2,1-3H3,(H,13,15)
InChIKeyMYGFVHYRZZEQAY-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(3,6-dihydro-2H-pyran-4-ylmethyl)-2,2-dimethylpropanamide
CID 130973897
methyl 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-2,2-dimethylpropanoate
CID 104069793
3-amino-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2,2-dimethylpropan-1-one
CID 114409680
3-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114409776
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-3-(methylamino)propan-1-one
CID 114409816
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-N',N',2,2-tetramethylpropane-1,3-diamine
CID 115674330
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylpropanamide
CID 115674391
N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 115741775
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylacetamide
CID 115741784
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propylpropanamide
CID 115741887
4-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,N-dimethylbutanamide
CID 115741926
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-prop-2-ynylpropanamide
CID 115741938

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide (CID 115749006) is 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNCC1=CCCOC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide?
The InChIKey is MYGFVHYRZZEQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,11(15)13-3)9-14-7-10-5-4-6-16-8-10/h5,14H,4,6-9H2,1-3H3,(H,13,15).
What are the key properties of 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide?
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 115749006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).