N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C16H27N3O — CID 62293152

IUPACN-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(N2CCOCC2(C)C)n1
InChIInChI=1S/C16H27N3O/c1-15(2,3)17-11-13-7-6-8-14(18-13)19-9-10-20-12-16(19,4)5/h6-8,17H,9-12H2,1-5H3
InChIKeyXAKBUSJRFPGFDN-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds3

About N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62293152) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62293152
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cccc(N2CCOCC2(C)C)n1
InChIInChI=1S/C16H27N3O/c1-15(2,3)17-11-13-7-6-8-14(18-13)19-9-10-20-12-16(19,4)5/h6-8,17H,9-12H2,1-5H3
InChIKeyXAKBUSJRFPGFDN-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62293152) is N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cccc(N2CCOCC2(C)C)n1.
What is the InChIKey of N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is XAKBUSJRFPGFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2,3)17-11-13-7-6-8-14(18-13)19-9-10-20-12-16(19,4)5/h6-8,17H,9-12H2,1-5H3.
What are the key properties of N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3-dimethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62293152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).