N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine

C22H43N3O — CID 174793053

IUPACN,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine
SMILESCCCCN(CCCC)CCCC.CN1CCOCC1.c1ccncc1
InChIInChI=1S/C12H27N.C5H11NO.C5H5N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h4-12H2,1-3H3;2-5H2,1H3;1-5H
InChIKeyXUYFFXJOMDEKGL-UHFFFAOYSA-N
MW365.61 g/mol
LogP4.72
Rot. Bonds9

About N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine

N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine (PubChem CID 174793053) has the molecular formula C22H43N3O and a molecular weight of 365.61 g/mol. Its IUPAC name is N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine.

Molecular Properties

Compound NameN,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine
PubChem CID174793053
Molecular FormulaC22H43N3O
Molecular Weight365.61 g/mol
Exact Mass365.34
IUPAC NameN,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine
SMILESCCCCN(CCCC)CCCC.CN1CCOCC1.c1ccncc1
InChIInChI=1S/C12H27N.C5H11NO.C5H5N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h4-12H2,1-3H3;2-5H2,1H3;1-5H
InChIKeyXUYFFXJOMDEKGL-UHFFFAOYSA-N
XLogP4.72
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.61
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine?
The IUPAC name of N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine (CID 174793053) is N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine.
What is the SMILES notation for N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine?
The canonical SMILES for N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine is CCCCN(CCCC)CCCC.CN1CCOCC1.c1ccncc1.
What is the InChIKey of N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine?
The InChIKey is XUYFFXJOMDEKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N.C5H11NO.C5H5N/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6-2-4-7-5-3-6;1-2-4-6-5-3-1/h4-12H2,1-3H3;2-5H2,1H3;1-5H.
What are the key properties of N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine?
N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine has a molecular weight of 365.61 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutylbutan-1-amine;4-methylmorpholine;pyridine is sourced from PubChem (CID 174793053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).