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

C14H30N2O2S — CID 142314321

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol
SMILESCC.CCCON(C=O)C1C=C(C)CN(C)C1.CS
InChIInChI=1S/C11H20N2O2.C2H6.CH4S/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;2*1-2/h6,9,11H,4-5,7-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyYPOXXNLQGMIPLU-UHFFFAOYSA-N
MW290.47 g/mol
LogP2.62
Rot. Bonds5

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

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol (PubChem CID 142314321) has the molecular formula C14H30N2O2S and a molecular weight of 290.47 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol
PubChem CID142314321
Molecular FormulaC14H30N2O2S
Molecular Weight290.47 g/mol
Exact Mass290.20
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol
SMILESCC.CCCON(C=O)C1C=C(C)CN(C)C1.CS
InChIInChI=1S/C11H20N2O2.C2H6.CH4S/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;2*1-2/h6,9,11H,4-5,7-8H2,1-3H3;1-2H3;2H,1H3
InChIKeyYPOXXNLQGMIPLU-UHFFFAOYSA-N
XLogP2.62
TPSA32.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'thiol_2', '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-propoxyformamide;ethane;methanethiol?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol (CID 142314321) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol is CC.CCCON(C=O)C1C=C(C)CN(C)C1.CS.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol?
The InChIKey is YPOXXNLQGMIPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2.C2H6.CH4S/c1-4-5-15-13(9-14)11-6-10(2)7-12(3)8-11;2*1-2/h6,9,11H,4-5,7-8H2,1-3H3;1-2H3;2H,1H3.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-propoxyformamide;ethane;methanethiol has a molecular weight of 290.47 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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;methanethiol is sourced from PubChem (CID 142314321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).