N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine

C16H27N3O — CID 105074615

IUPACN-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H27N3O/c1-12(2)7-18-8-15-5-6-17-9-16(15)19-10-13(3)20-14(4)11-19/h5-6,9,12-14,18H,7-8,10-11H2,1-4H3/t13-,14+
InChIKeyLTQASLINAPPLKA-OKILXGFUSA-N
MW277.41 g/mol
LogP2.44
Rot. Bonds5

About N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 105074615) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID105074615
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1ccncc1N1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C16H27N3O/c1-12(2)7-18-8-15-5-6-17-9-16(15)19-10-13(3)20-14(4)11-19/h5-6,9,12-14,18H,7-8,10-11H2,1-4H3/t13-,14+
InChIKeyLTQASLINAPPLKA-OKILXGFUSA-N
XLogP2.44
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Related Compounds

N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
N-[[3-(3,5-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072754
1-[3-(2,6-dimethylmorpholin-4-yl)-4-pyridinyl]-N-methylmethanamine
CID 105072641
N-[[3-(3,4-dimethoxypyrrolidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 103539529
N-[[2-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 63058724
N-[[3-(azocan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105072821
N-[[3-[3-(methoxymethyl)pyrrolidin-1-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074060
N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine
CID 104959435
N-[[3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074066
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine (CID 105074615) is N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1ccncc1N1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is LTQASLINAPPLKA-OKILXGFUSA-N. The full InChI is InChI=1S/C16H27N3O/c1-12(2)7-18-8-15-5-6-17-9-16(15)19-10-13(3)20-14(4)11-19/h5-6,9,12-14,18H,7-8,10-11H2,1-4H3/t13-,14+.
What are the key properties of N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 105074615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).