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

C16H26ClN3O — CID 62293326

IUPACN-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCOCC2(C)C)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-15(2,3)19-10-12-8-13(17)14(18-9-12)20-6-7-21-11-16(20,4)5/h8-9,19H,6-7,10-11H2,1-5H3
InChIKeyIHQAICQCYXWSCI-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.24
Rot. Bonds3

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

N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 62293326) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID62293326
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC NameN-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1cnc(N2CCOCC2(C)C)c(Cl)c1
InChIInChI=1S/C16H26ClN3O/c1-15(2,3)19-10-12-8-13(17)14(18-9-12)20-6-7-21-11-16(20,4)5/h8-9,19H,6-7,10-11H2,1-5H3
InChIKeyIHQAICQCYXWSCI-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine (CID 62293326) is N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1cnc(N2CCOCC2(C)C)c(Cl)c1.
What is the InChIKey of N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is IHQAICQCYXWSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-15(2,3)19-10-12-8-13(17)14(18-9-12)20-6-7-21-11-16(20,4)5/h8-9,19H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 311.86 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-6-(3,3-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62293326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).