ethane;2-pentan-3-ylpyridine

C12H21N — CID 142883968

IUPACethane;2-pentan-3-ylpyridine
SMILESCC.CCC(CC)c1ccccn1
InChIInChI=1S/C10H15N.C2H6/c1-3-9(4-2)10-7-5-6-8-11-10;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyBBLKQXHNDBQRIF-UHFFFAOYSA-N
MW179.31 g/mol
LogP4.01
Rot. Bonds3

About ethane;2-pentan-3-ylpyridine

ethane;2-pentan-3-ylpyridine (PubChem CID 142883968) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is ethane;2-pentan-3-ylpyridine.

Molecular Properties

Compound Nameethane;2-pentan-3-ylpyridine
PubChem CID142883968
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Nameethane;2-pentan-3-ylpyridine
SMILESCC.CCC(CC)c1ccccn1
InChIInChI=1S/C10H15N.C2H6/c1-3-9(4-2)10-7-5-6-8-11-10;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyBBLKQXHNDBQRIF-UHFFFAOYSA-N
XLogP4.01
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-(1,3-dichloropropan-2-yl)pyridine
CID 14046520
2-[1-(4-bromophenyl)butan-2-yl]pyridine;hydrazine
CID 70296015
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
2-tridecan-6-ylpyridine
CID 139295924
methyl 2,2-dimethyl-4-pyridin-2-ylhexanoate
CID 58862789
2-heptan-4-ylpyridine;4-hexan-3-ylpyridazine
CID 177190805
ethane;2-methylpropane;2-propan-2-ylpyridine
CID 160963174
2-[(2R)-3-methylbutan-2-yl]pyridine
CID 26793118
4-methyl-2-pyridin-2-ylheptan-1-amine
CID 54593230
(2R,4S)-4-methyl-2-pyridin-2-ylheptan-1-amine
CID 95241708
2-decan-4-ylpyridine
CID 67882797

Frequently Asked Questions

What is the IUPAC name of ethane;2-pentan-3-ylpyridine?
The IUPAC name of ethane;2-pentan-3-ylpyridine (CID 142883968) is ethane;2-pentan-3-ylpyridine.
What is the SMILES notation for ethane;2-pentan-3-ylpyridine?
The canonical SMILES for ethane;2-pentan-3-ylpyridine is CC.CCC(CC)c1ccccn1.
What is the InChIKey of ethane;2-pentan-3-ylpyridine?
The InChIKey is BBLKQXHNDBQRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C2H6/c1-3-9(4-2)10-7-5-6-8-11-10;1-2/h5-9H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;2-pentan-3-ylpyridine?
ethane;2-pentan-3-ylpyridine has a molecular weight of 179.31 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pentan-3-ylpyridine is sourced from PubChem (CID 142883968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).