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

C13H26N2O2 — CID 142314306

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane
SMILESCC.CCCON(C=O)C1C=C(C)CN(C)C1
InChIInChI=1S/C11H20N2O2.C2H6/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;1-2/h6,9,11H,4-5,7-8H2,1-3H3;1-2H3
InChIKeySKJVHUXDWFVZDZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.07
Rot. Bonds5

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

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane (PubChem CID 142314306) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane
PubChem CID142314306
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane
SMILESCC.CCCON(C=O)C1C=C(C)CN(C)C1
InChIInChI=1S/C11H20N2O2.C2H6/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;1-2/h6,9,11H,4-5,7-8H2,1-3H3;1-2H3
InChIKeySKJVHUXDWFVZDZ-UHFFFAOYSA-N
XLogP2.07
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.07
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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Related Compounds

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;methanethiol
CID 142314321
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)-N-prop-2-enoxyformamide;ethane;methane
CID 142314328
Ethane;3-methyl-6-propoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 142314336
N-hydroxy-N-[(3R)-1-methyl-3,6-dihydro-2H-pyridin-3-yl]formamide
CID 142314349
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-hydroxyformamide;ethane
CID 142314358
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane
CID 142314392
N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;formaldehyde;methanamine
CID 145162115
N-[(3R)-1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl]-N-prop-2-enoxyformamide;ethane;methanol
CID 145162116

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane (CID 142314306) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane is CC.CCCON(C=O)C1C=C(C)CN(C)C1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane?
The InChIKey is SKJVHUXDWFVZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;1-2/h6,9,11H,4-5,7-8H2,1-3H3;1-2H3.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane has a molecular weight of 242.36 g/mol, XLogP of 2.07, 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-propoxyformamide;ethane is sourced from PubChem (CID 142314306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).