ethane;2-methylidene-4,5-dihydro-3H-pyridine

C10H21N — CID 123994673

IUPACethane;2-methylidene-4,5-dihydro-3H-pyridine
SMILESC=C1CCCC=N1.CC.CC
InChIInChI=1S/C6H9N.2C2H6/c1-6-4-2-3-5-7-6;2*1-2/h5H,1-4H2;2*1-2H3
InChIKeyPFLVMCWTDWKQQX-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.81
Rot. Bonds

About ethane;2-methylidene-4,5-dihydro-3H-pyridine

ethane;2-methylidene-4,5-dihydro-3H-pyridine (PubChem CID 123994673) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;2-methylidene-4,5-dihydro-3H-pyridine.

Molecular Properties

Compound Nameethane;2-methylidene-4,5-dihydro-3H-pyridine
PubChem CID123994673
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;2-methylidene-4,5-dihydro-3H-pyridine
SMILESC=C1CCCC=N1.CC.CC
InChIInChI=1S/C6H9N.2C2H6/c1-6-4-2-3-5-7-6;2*1-2/h5H,1-4H2;2*1-2H3
InChIKeyPFLVMCWTDWKQQX-UHFFFAOYSA-N
XLogP3.81
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S)-3-fluoro-2-methylidene-4,5-dihydro-3H-pyridine
CID 148603751
4,6-dimethylidene-3H-pyridine
CID 23532155
6-Butyl-3,4-dihydropyridine
CID 57232756
2-methylidene-4,5-dihydro-3H-pyridine
CID 59164973
Ethane;2-methylidene-3,4-dihydropyrrole
CID 123232462
5-methyl-3-methylidene-2-propyl-2H-pyrazine
CID 139373828
2-methylidene-4,5-dihydro-3H-pyridin-5-ylium
CID 140602391
N-hex-1-en-2-ylprop-2-en-1-imine
CID 142562700
N-[1-(3,4-dihydropyridin-2-yl)ethenyl]prop-2-en-1-imine;ethane
CID 145148851
N-[(Z)-1-(ethylideneamino)pent-1-en-2-yl]butan-1-imine
CID 155065837
N-(4-methylpent-1-en-2-yl)butan-1-imine
CID 155374241
N-[(Z)-2-(methylideneamino)but-1-enyl]pentan-1-imine
CID 155472151

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylidene-4,5-dihydro-3H-pyridine?
The IUPAC name of ethane;2-methylidene-4,5-dihydro-3H-pyridine (CID 123994673) is ethane;2-methylidene-4,5-dihydro-3H-pyridine.
What is the SMILES notation for ethane;2-methylidene-4,5-dihydro-3H-pyridine?
The canonical SMILES for ethane;2-methylidene-4,5-dihydro-3H-pyridine is C=C1CCCC=N1.CC.CC.
What is the InChIKey of ethane;2-methylidene-4,5-dihydro-3H-pyridine?
The InChIKey is PFLVMCWTDWKQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.2C2H6/c1-6-4-2-3-5-7-6;2*1-2/h5H,1-4H2;2*1-2H3.
What are the key properties of ethane;2-methylidene-4,5-dihydro-3H-pyridine?
ethane;2-methylidene-4,5-dihydro-3H-pyridine has a molecular weight of 155.28 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylidene-4,5-dihydro-3H-pyridine is sourced from PubChem (CID 123994673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).