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

C14H28N2O2 — CID 142314328

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane
SMILESC.C=CCON(C=O)C1C=C(C)CN(C)C1.CC
InChIInChI=1S/C11H18N2O2.C2H6.CH4/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;1-2;/h4,6,9,11H,1,5,7-8H2,2-3H3;1-2H3;1H4
InChIKeyGLQVUNIKAHVPMF-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.48
Rot. Bonds5

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

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane (PubChem CID 142314328) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane
PubChem CID142314328
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane
SMILESC.C=CCON(C=O)C1C=C(C)CN(C)C1.CC
InChIInChI=1S/C11H18N2O2.C2H6.CH4/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;1-2;/h4,6,9,11H,1,5,7-8H2,2-3H3;1-2H3;1H4
InChIKeyGLQVUNIKAHVPMF-UHFFFAOYSA-N
XLogP2.48
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.48
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

(3R,6R)-6-ethyl-N,1,4-trimethyl-N-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-amine
CID 117945260
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;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-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
ethane;N-(1-prop-2-enoxy-3,6-dihydro-2H-pyridin-3-yl)formamide
CID 142314362
Ethane;3-methyl-6-prop-2-enoxy-1,6-diazabicyclo[3.2.1]oct-3-en-7-one
CID 142314364
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane
CID 142314392

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane (CID 142314328) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane is C.C=CCON(C=O)C1C=C(C)CN(C)C1.CC.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane?
The InChIKey is GLQVUNIKAHVPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2.C2H6.CH4/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;1-2;/h4,6,9,11H,1,5,7-8H2,2-3H3;1-2H3;1H4.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-prop-2-enoxyformamide;ethane;methane has a molecular weight of 256.39 g/mol, XLogP of 2.48, 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-prop-2-enoxyformamide;ethane;methane is sourced from PubChem (CID 142314328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).