methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

C27H45N3 — CID 158880002

IUPACmethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESC.C.C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1
InChIInChI=1S/3C8H11N.3CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;/h3*3-7H,1-2H3;3*1H4
InChIKeyJCXKZGYBPRJRMQ-UHFFFAOYSA-N
MW411.68 g/mol
LogP8.52
Rot. Bonds3

About methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine

methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (PubChem CID 158880002) has the molecular formula C27H45N3 and a molecular weight of 411.68 g/mol. Its IUPAC name is methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.

Molecular Properties

Compound Namemethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
PubChem CID158880002
Molecular FormulaC27H45N3
Molecular Weight411.68 g/mol
Exact Mass411.36
IUPAC Namemethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
SMILESC.C.C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1
InChIInChI=1S/3C8H11N.3CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;/h3*3-7H,1-2H3;3*1H4
InChIKeyJCXKZGYBPRJRMQ-UHFFFAOYSA-N
XLogP8.52
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.68
LogP ≤ 58.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 155572043
bis(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine)
CID 158875666
cumene;ethane;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159528038
ethane;methane;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159280062
ethane;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 159241215
2-propan-2-ylpyrazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;4-propan-2-ylpyrimidine
CID 157089841
ethane;2-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 159031608
methane;3-propan-2-ylpyridine;4-propan-2-ylpyridine
CID 177028413
cumene;methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine
CID 161373838
hexakis(carbon dioxide);bis(2-methyl-4-propan-2-ylpyridine);2-propan-2-ylpyridine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine
CID 158081858
ethane;4-propan-2-ylpyridazine;bis(2-propan-2-ylpyridine);tris(3-propan-2-ylpyridine);bis(4-propan-2-ylpyridine);4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 159364646
cumene;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine
CID 159892681

Frequently Asked Questions

What is the IUPAC name of methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The IUPAC name of methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine (CID 158880002) is methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine.
What is the SMILES notation for methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The canonical SMILES for methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is C.C.C.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.
What is the InChIKey of methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
The InChIKey is JCXKZGYBPRJRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H11N.3CH4/c1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;;;/h3*3-7H,1-2H3;3*1H4.
What are the key properties of methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine?
methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine has a molecular weight of 411.68 g/mol, XLogP of 8.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine is sourced from PubChem (CID 158880002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).