1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine

C17H32N2 — CID 143105311

IUPAC1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine
SMILESCC.CCCCC1(NC)CCC1.Cc1cccnc1
InChIInChI=1S/C9H19N.C6H7N.C2H6/c1-3-4-6-9(10-2)7-5-8-9;1-6-3-2-4-7-5-6;1-2/h10H,3-8H2,1-2H3;2-5H,1H3;1-2H3
InChIKeyQGWGXRSKHBIFGI-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.73
Rot. Bonds4

About 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine

1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine (PubChem CID 143105311) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine.

Molecular Properties

Compound Name1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine
PubChem CID143105311
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine
SMILESCC.CCCCC1(NC)CCC1.Cc1cccnc1
InChIInChI=1S/C9H19N.C6H7N.C2H6/c1-3-4-6-9(10-2)7-5-8-9;1-6-3-2-4-7-5-6;1-2/h10H,3-8H2,1-2H3;2-5H,1H3;1-2H3
InChIKeyQGWGXRSKHBIFGI-UHFFFAOYSA-N
XLogP4.73
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-pentyl-N-(pyridin-3-ylmethyl)cyclobutan-1-amine
CID 70482960
ethane;3-methylpyridine;hydroiodide
CID 143140941
bis(3-methylpyridine);palladium(2+);dichloride
CID 71466702
bis(3-methylpyridine);platinum(2+);dichloride
CID 23341677
N,N-dimethylmethanamine;ethane;3-methylpyridine
CID 142096313
ethane;methoxymethane;bis(3-methylpyridine)
CID 159558388
methoxyethane;3-methylpyridine
CID 144662760
ethane;methane;3-methylpyridine;toluene;1,4-xylene
CID 159514301
3-methyloct-1-ene;3-methylpyridine
CID 142210059
bis(3-methylpyridine);tetrachloroplatinum
CID 3415062
dichlorocobalt(1+);tetrakis(3-methylpyridine);chloride
CID 119057635
3-methylpyridine;4-methylpyridine
CID 21425791

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine?
The IUPAC name of 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine (CID 143105311) is 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine.
What is the SMILES notation for 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine?
The canonical SMILES for 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine is CC.CCCCC1(NC)CCC1.Cc1cccnc1.
What is the InChIKey of 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine?
The InChIKey is QGWGXRSKHBIFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C6H7N.C2H6/c1-3-4-6-9(10-2)7-5-8-9;1-6-3-2-4-7-5-6;1-2/h10H,3-8H2,1-2H3;2-5H,1H3;1-2H3.
What are the key properties of 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine?
1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine has a molecular weight of 264.46 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-methylcyclobutan-1-amine;ethane;3-methylpyridine is sourced from PubChem (CID 143105311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).