N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 81246226

IUPACN-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-12(2)18-9-14-8-17-7-6-15(14)19-10-13(3)20-16(4,5)11-19/h6-8,12-13,18H,9-11H2,1-5H3
InChIKeySRONATGCBLYDNH-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.58
Rot. Bonds4

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

N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 81246226) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID81246226
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cnccc1N1CC(C)OC(C)(C)C1
InChIInChI=1S/C16H27N3O/c1-12(2)18-9-14-8-17-7-6-15(14)19-10-13(3)20-16(4,5)11-19/h6-8,12-13,18H,9-11H2,1-5H3
InChIKeySRONATGCBLYDNH-UHFFFAOYSA-N
XLogP2.58
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 81246226) is N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cnccc1N1CC(C)OC(C)(C)C1.
What is the InChIKey of N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is SRONATGCBLYDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)18-9-14-8-17-7-6-15(14)19-10-13(3)20-16(4,5)11-19/h6-8,12-13,18H,9-11H2,1-5H3.
What are the key properties of N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,2,6-trimethylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 81246226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).