ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine

C10H21N — CID 145385716

IUPACethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine
SMILESCC.CCN1C=CC(C)CC1
InChIInChI=1S/C8H15N.C2H6/c1-3-9-6-4-8(2)5-7-9;1-2/h4,6,8H,3,5,7H2,1-2H3;1-2H3
InChIKeyQJFOMBPOZBFKIF-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.89
Rot. Bonds1

About ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine

ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine (PubChem CID 145385716) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine
PubChem CID145385716
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine
SMILESCC.CCN1C=CC(C)CC1
InChIInChI=1S/C8H15N.C2H6/c1-3-9-6-4-8(2)5-7-9;1-2/h4,6,8H,3,5,7H2,1-2H3;1-2H3
InChIKeyQJFOMBPOZBFKIF-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-4-methyl-3,4-dihydro-2H-pyridine
CID 59011780
CID 153370971
CID 153370971
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CID 155135892
4-methyl-1-phenyl-3,4-dihydro-2H-pyridine
CID 123659358
ethane;1-ethyl-3,4-dihydro-2H-pyridine
CID 156845529
ethane;1-ethyl-4-methylpiperidine
CID 143737046
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butane;3-methylcyclopentene
CID 143221247
(2R,3S)-1-ethyl-2,3-dimethylpyrrolidine
CID 146922886
(1-ethyl-2-methylpyrrolidin-3-yl)methanamine
CID 117022133
ethane;(2R,3S)-1-ethyl-2-[(1S)-1-hydroxyethyl]pyrrolidin-3-ol;methane
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ethane;1-ethyl-3-methylpyrrolidine
CID 90936593

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine?
The IUPAC name of ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine (CID 145385716) is ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine.
What is the SMILES notation for ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine?
The canonical SMILES for ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine is CC.CCN1C=CC(C)CC1.
What is the InChIKey of ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine?
The InChIKey is QJFOMBPOZBFKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-3-9-6-4-8(2)5-7-9;1-2/h4,6,8H,3,5,7H2,1-2H3;1-2H3.
What are the key properties of ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine?
ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine has a molecular weight of 155.28 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-methyl-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 145385716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).