N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

C16H26ClN3O — CID 62284909

IUPACN-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CC(C)OC(C)C2)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-11(2)6-18-7-14-5-15(17)16(19-8-14)20-9-12(3)21-13(4)10-20/h5,8,11-13,18H,6-7,9-10H2,1-4H3
InChIKeySKOFXIILQYDUFB-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.09
Rot. Bonds5

About N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine

N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (PubChem CID 62284909) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
PubChem CID62284909
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(N2CC(C)OC(C)C2)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-11(2)6-18-7-14-5-15(17)16(19-8-14)20-9-12(3)21-13(4)10-20/h5,8,11-13,18H,6-7,9-10H2,1-4H3
InChIKeySKOFXIILQYDUFB-UHFFFAOYSA-N
XLogP3.09
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

N-[[3-chloro-4-(2,6-dimethylmorpholin-4-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 81147425
N-[[6-(2-azabicyclo[2.2.1]heptan-2-yl)-5-chloro-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62295360
2-methyl-N-[[5-methyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-3-pyridinyl]methyl]propan-1-amine
CID 80637065
N-[[5-(2,6-dimethylmorpholin-4-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107378849
N-[[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380986
N-[[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]methyl]-2-methylpropan-1-amine
CID 104961341
N-[[2-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-2-methylpropan-1-amine
CID 104959435
1-[3-chloro-5-(propylaminomethyl)-2-pyridinyl]-N,N,4-trimethylpyrrolidin-3-amine
CID 81465095
N-[[5-chloro-6-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]ethanamine
CID 62285951
N-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 104960884
N-[[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105074615
[5-chloro-6-(3,4-dimethylpyrrolidin-1-yl)-3-pyridinyl]methanol
CID 79183709

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine (CID 62284909) is N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(N2CC(C)OC(C)C2)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
The InChIKey is SKOFXIILQYDUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-11(2)6-18-7-14-5-15(17)16(19-8-14)20-9-12(3)21-13(4)10-20/h5,8,11-13,18H,6-7,9-10H2,1-4H3.
What are the key properties of N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine?
N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine has a molecular weight of 311.86 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62284909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).