N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide

C12H22N2O2 — CID 134398301

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide
SMILESCC1=CC(N(C=O)OCC(C)C)CN(C)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)8-16-14(9-15)12-5-11(3)6-13(4)7-12/h5,9-10,12H,6-8H2,1-4H3
InChIKeyQURWOHXHOFVYNB-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.29
Rot. Bonds5

About N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide (PubChem CID 134398301) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide
PubChem CID134398301
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide
SMILESCC1=CC(N(C=O)OCC(C)C)CN(C)C1
InChIInChI=1S/C12H22N2O2/c1-10(2)8-16-14(9-15)12-5-11(3)6-13(4)7-12/h5,9-10,12H,6-8H2,1-4H3
InChIKeyQURWOHXHOFVYNB-UHFFFAOYSA-N
XLogP1.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide (CID 134398301) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide is CC1=CC(N(C=O)OCC(C)C)CN(C)C1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide?
The InChIKey is QURWOHXHOFVYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10(2)8-16-14(9-15)12-5-11(3)6-13(4)7-12/h5,9-10,12H,6-8H2,1-4H3.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide has a molecular weight of 226.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide is sourced from PubChem (CID 134398301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).