N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C16H26ClN3O — CID 62281910

IUPACN-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1COCCN1c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C16H26ClN3O/c1-5-12-11-21-9-8-20(12)15-7-6-13(17)14(19-15)10-18-16(2,3)4/h6-7,12,18H,5,8-11H2,1-4H3
InChIKeyBZINPZASBAJTKV-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.24
Rot. Bonds4

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

N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62281910) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62281910
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC1COCCN1c1ccc(Cl)c(CNC(C)(C)C)n1
InChIInChI=1S/C16H26ClN3O/c1-5-12-11-21-9-8-20(12)15-7-6-13(17)14(19-15)10-18-16(2,3)4/h6-7,12,18H,5,8-11H2,1-4H3
InChIKeyBZINPZASBAJTKV-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62281910) is N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CCC1COCCN1c1ccc(Cl)c(CNC(C)(C)C)n1.
What is the InChIKey of N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is BZINPZASBAJTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-5-12-11-21-9-8-20(12)15-7-6-13(17)14(19-15)10-18-16(2,3)4/h6-7,12,18H,5,8-11H2,1-4H3.
What are the key properties of N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(3-ethylmorpholin-4-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62281910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).