N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane

C11H22N2O — CID 142314392

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane
SMILESCC.CC1=CC(N(C)C=O)CN(C)C1
InChIInChI=1S/C9H16N2O.C2H6/c1-8-4-9(11(3)7-12)6-10(2)5-8;1-2/h4,7,9H,5-6H2,1-3H3;1-2H3
InChIKeyCFDDJRVYBMEXNJ-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.36
Rot. Bonds2

About N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane (PubChem CID 142314392) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane
PubChem CID142314392
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane
SMILESCC.CC1=CC(N(C)C=O)CN(C)C1
InChIInChI=1S/C9H16N2O.C2H6/c1-8-4-9(11(3)7-12)6-10(2)5-8;1-2/h4,7,9H,5-6H2,1-3H3;1-2H3
InChIKeyCFDDJRVYBMEXNJ-UHFFFAOYSA-N
XLogP1.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2Z,6Z)-2-methylnona-2,6-dienyl]-N-propan-2-ylformamide
CID 88928085
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-(2-methylpropoxy)formamide
CID 134398301
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane
CID 142314294
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane
CID 142314306
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane
CID 142314322
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane
CID 142314323
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane
CID 142314326
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane
CID 142314328
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-hydroxyformamide;ethane
CID 142314358
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 144108459
ethane;4-methyl-3,6-dihydro-2H-pyridine-1-carbaldehyde
CID 178132157
N-tert-butyl-N-cyclohexa-2,5-dien-1-ylformamide
CID 45103374

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane (CID 142314392) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane is CC.CC1=CC(N(C)C=O)CN(C)C1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane?
The InChIKey is CFDDJRVYBMEXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.C2H6/c1-8-4-9(11(3)7-12)6-10(2)5-8;1-2/h4,7,9H,5-6H2,1-3H3;1-2H3.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane has a molecular weight of 198.31 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane is sourced from PubChem (CID 142314392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).