N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

C15H24ClN3O — CID 114925543

IUPACN-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1COCCN1c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H24ClN3O/c1-11-10-20-6-5-19(11)14-7-12(13(16)9-17-14)8-18-15(2,3)4/h7,9,11,18H,5-6,8,10H2,1-4H3
InChIKeyWXNPOVICYTZVRE-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.85
Rot. Bonds3

About N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 114925543) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID114925543
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC NameN-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC1COCCN1c1cc(CNC(C)(C)C)c(Cl)cn1
InChIInChI=1S/C15H24ClN3O/c1-11-10-20-6-5-19(11)14-7-12(13(16)9-17-14)8-18-15(2,3)4/h7,9,11,18H,5-6,8,10H2,1-4H3
InChIKeyWXNPOVICYTZVRE-UHFFFAOYSA-N
XLogP2.85
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926559
N-[[5-chloro-2-(2,3-dimethylpiperidin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114924844
N-[[5-chloro-2-(3,4-dimethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926447
N-[[5-chloro-2-(4-methylazepan-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114926471
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876
N-[[3-fluoro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 105384909
N-[[5-chloro-2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114925198
N-[[5-chloro-2-(3,5-dimethyl-1,2,4-triazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114927307
2-methyl-N-[[3-methyl-4-(3-methylmorpholin-4-yl)phenyl]methyl]propan-2-amine
CID 62120673
N-[[5-(3-methylmorpholin-4-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379181
N-[[5-chloro-2-(oxolan-3-ylmethoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928546
N-methyl-1-[6-(3-methylmorpholin-4-yl)-3-pyridinyl]methanamine
CID 62281160

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine (CID 114925543) is N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is CC1COCCN1c1cc(CNC(C)(C)C)c(Cl)cn1.
What is the InChIKey of N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is WXNPOVICYTZVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11-10-20-6-5-19(11)14-7-12(13(16)9-17-14)8-18-15(2,3)4/h7,9,11,18H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 297.83 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(3-methylmorpholin-4-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 114925543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).