butane;2-methylpyridine;propane

C13H25N — CID 171077595

IUPACbutane;2-methylpyridine;propane
SMILESCCC.CCCC.Cc1ccccn1
InChIInChI=1S/C6H7N.C4H10.C3H8/c1-6-4-2-3-5-7-6;1-3-4-2;1-3-2/h2-5H,1H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyKRJJGQUUNIXNPG-UHFFFAOYSA-N
MW195.35 g/mol
LogP4.61
Rot. Bonds1

About butane;2-methylpyridine;propane

butane;2-methylpyridine;propane (PubChem CID 171077595) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is butane;2-methylpyridine;propane.

Molecular Properties

Compound Namebutane;2-methylpyridine;propane
PubChem CID171077595
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Namebutane;2-methylpyridine;propane
SMILESCCC.CCCC.Cc1ccccn1
InChIInChI=1S/C6H7N.C4H10.C3H8/c1-6-4-2-3-5-7-6;1-3-4-2;1-3-2/h2-5H,1H3;3-4H2,1-2H3;3H2,1-2H3
InChIKeyKRJJGQUUNIXNPG-UHFFFAOYSA-N
XLogP4.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butane;2-methylpyridine;propane?
The IUPAC name of butane;2-methylpyridine;propane (CID 171077595) is butane;2-methylpyridine;propane.
What is the SMILES notation for butane;2-methylpyridine;propane?
The canonical SMILES for butane;2-methylpyridine;propane is CCC.CCCC.Cc1ccccn1.
What is the InChIKey of butane;2-methylpyridine;propane?
The InChIKey is KRJJGQUUNIXNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H10.C3H8/c1-6-4-2-3-5-7-6;1-3-4-2;1-3-2/h2-5H,1H3;3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;2-methylpyridine;propane?
butane;2-methylpyridine;propane has a molecular weight of 195.35 g/mol, XLogP of 4.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-methylpyridine;propane is sourced from PubChem (CID 171077595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).