ethane;2-(2-ethylpentyl)-4-methylpyridine

C15H27N — CID 145149473

IUPACethane;2-(2-ethylpentyl)-4-methylpyridine
SMILESCC.CCCC(CC)Cc1cc(C)ccn1
InChIInChI=1S/C13H21N.C2H6/c1-4-6-12(5-2)10-13-9-11(3)7-8-14-13;1-2/h7-9,12H,4-6,10H2,1-3H3;1-2H3
InChIKeyWNJVJVRRWVTELH-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.79
Rot. Bonds5

About ethane;2-(2-ethylpentyl)-4-methylpyridine

ethane;2-(2-ethylpentyl)-4-methylpyridine (PubChem CID 145149473) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is ethane;2-(2-ethylpentyl)-4-methylpyridine.

Molecular Properties

Compound Nameethane;2-(2-ethylpentyl)-4-methylpyridine
PubChem CID145149473
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Nameethane;2-(2-ethylpentyl)-4-methylpyridine
SMILESCC.CCCC(CC)Cc1cc(C)ccn1
InChIInChI=1S/C13H21N.C2H6/c1-4-6-12(5-2)10-13-9-11(3)7-8-14-13;1-2/h7-9,12H,4-6,10H2,1-3H3;1-2H3
InChIKeyWNJVJVRRWVTELH-UHFFFAOYSA-N
XLogP4.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloropentyl)-4-methylpyridine
CID 18799713
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
ethane;(4-methyl-2-pyridinyl)methanamine
CID 142030002
(2S)-N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 28923762
N-ethyl-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 16640575
N,3-dimethyl-1-(4-methyl-2-pyridinyl)butan-2-amine
CID 63201754
2-(2-chloro-2-cyclopropylethyl)-4-methylpyridine
CID 63352927
2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
(2S)-N-methyl-1-(4-methyl-2-pyridinyl)-N-(1,3-thiazol-2-ylmethyl)propan-2-amine
CID 124758227
trimethyl-[(4-methyl-2-pyridinyl)methyl]silane
CID 45117498
(4-methyl-2-pyridinyl)methanol;hydrobromide
CID 133055836

Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-ethylpentyl)-4-methylpyridine?
The IUPAC name of ethane;2-(2-ethylpentyl)-4-methylpyridine (CID 145149473) is ethane;2-(2-ethylpentyl)-4-methylpyridine.
What is the SMILES notation for ethane;2-(2-ethylpentyl)-4-methylpyridine?
The canonical SMILES for ethane;2-(2-ethylpentyl)-4-methylpyridine is CC.CCCC(CC)Cc1cc(C)ccn1.
What is the InChIKey of ethane;2-(2-ethylpentyl)-4-methylpyridine?
The InChIKey is WNJVJVRRWVTELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.C2H6/c1-4-6-12(5-2)10-13-9-11(3)7-8-14-13;1-2/h7-9,12H,4-6,10H2,1-3H3;1-2H3.
What are the key properties of ethane;2-(2-ethylpentyl)-4-methylpyridine?
ethane;2-(2-ethylpentyl)-4-methylpyridine has a molecular weight of 221.39 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-ethylpentyl)-4-methylpyridine is sourced from PubChem (CID 145149473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).