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

C10H20N2O — CID 142314326

IUPACN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane
SMILESCC.CC1=CC(NC=O)CN(C)C1
InChIInChI=1S/C8H14N2O.C2H6/c1-7-3-8(9-6-11)5-10(2)4-7;1-2/h3,6,8H,4-5H2,1-2H3,(H,9,11);1-2H3
InChIKeyWVQCYIZSMRSMKB-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds2

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

N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane (PubChem CID 142314326) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane.

Molecular Properties

Compound NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane
PubChem CID142314326
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane
SMILESCC.CC1=CC(NC=O)CN(C)C1
InChIInChI=1S/C8H14N2O.C2H6/c1-7-3-8(9-6-11)5-10(2)4-7;1-2/h3,6,8H,4-5H2,1-2H3,(H,9,11);1-2H3
InChIKeyWVQCYIZSMRSMKB-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
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

4-ethyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carbonyl fluoride
CID 59110317
N-[6-methyl-1-(2,2,2-trifluoroethyl)-2,3,4,7-tetrahydroazepin-3-yl]formamide
CID 143562719
N-(1,5-diethyl-2-methyl-2H-pyridin-3-yl)formamide
CID 57234254
N-(1,4-dimethyl-3,6-dihydro-2H-pyridin-3-yl)acetamide
CID 117936462
1-[4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123718960
2-(dimethylamino)-N-(3-methylpent-3-en-2-yl)acetamide
CID 123726116
1-(3-Methylpent-3-en-2-yl)piperazin-2-one
CID 123868907
N-[2-[[(E)-5-(dimethylamino)pent-3-enyl]-methylamino]ethyl]formamide
CID 134293258
N-[1-cyclohexa-1,5-dien-1-yl-2-(4-methylpiperazin-1-yl)ethyl]formamide
CID 141809183
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)-N-methylformamide;ethane
CID 142314392
ethyl 4-methyl-3-(methylamino)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 144558595
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propan-2-ylacetamide
CID 156093800

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane?
The IUPAC name of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane (CID 142314326) is N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane.
What is the SMILES notation for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane?
The canonical SMILES for N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane is CC.CC1=CC(NC=O)CN(C)C1.
What is the InChIKey of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane?
The InChIKey is WVQCYIZSMRSMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O.C2H6/c1-7-3-8(9-6-11)5-10(2)4-7;1-2/h3,6,8H,4-5H2,1-2H3,(H,9,11);1-2H3.
What are the key properties of N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane?
N-(1,5-dimethyl-3,6-dihydro-2H-pyridin-3-yl)formamide;ethane has a molecular weight of 184.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 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)formamide;ethane is sourced from PubChem (CID 142314326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).