3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine

C16H27N3O — CID 75381355

IUPAC3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine
SMILESCc1ccc(CNC(CN2CCOCC2)C(C)C)nc1
InChIInChI=1S/C16H27N3O/c1-13(2)16(12-19-6-8-20-9-7-19)18-11-15-5-4-14(3)10-17-15/h4-5,10,13,16,18H,6-9,11-12H2,1-3H3
InChIKeyXAOBWAYTTXRYSO-UHFFFAOYSA-N
MW277.41 g/mol
LogP1.84
Rot. Bonds6

About 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine

3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine (PubChem CID 75381355) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine
PubChem CID75381355
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine
SMILESCc1ccc(CNC(CN2CCOCC2)C(C)C)nc1
InChIInChI=1S/C16H27N3O/c1-13(2)16(12-19-6-8-20-9-7-19)18-11-15-5-4-14(3)10-17-15/h4-5,10,13,16,18H,6-9,11-12H2,1-3H3
InChIKeyXAOBWAYTTXRYSO-UHFFFAOYSA-N
XLogP1.84
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine?
The IUPAC name of 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine (CID 75381355) is 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine.
What is the SMILES notation for 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine?
The canonical SMILES for 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine is Cc1ccc(CNC(CN2CCOCC2)C(C)C)nc1.
What is the InChIKey of 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine?
The InChIKey is XAOBWAYTTXRYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-13(2)16(12-19-6-8-20-9-7-19)18-11-15-5-4-14(3)10-17-15/h4-5,10,13,16,18H,6-9,11-12H2,1-3H3.
What are the key properties of 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine?
3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(5-methyl-2-pyridinyl)methyl]-1-morpholin-4-ylbutan-2-amine is sourced from PubChem (CID 75381355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).