N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

C16H27N3O — CID 62281297

IUPACN-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(N2CCOCC2C)n1
InChIInChI=1S/C16H27N3O/c1-11(2)17-9-15-12(3)8-13(4)18-16(15)19-6-7-20-10-14(19)5/h8,11,14,17H,6-7,9-10H2,1-5H3
InChIKeyVKKVAUQIPZUGTD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.42
Rot. Bonds4

About N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine

N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62281297) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62281297
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCc1cc(C)c(CNC(C)C)c(N2CCOCC2C)n1
InChIInChI=1S/C16H27N3O/c1-11(2)17-9-15-12(3)8-13(4)18-16(15)19-6-7-20-10-14(19)5/h8,11,14,17H,6-7,9-10H2,1-5H3
InChIKeyVKKVAUQIPZUGTD-UHFFFAOYSA-N
XLogP2.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-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-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62281297) is N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is Cc1cc(C)c(CNC(C)C)c(N2CCOCC2C)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is VKKVAUQIPZUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)17-9-15-12(3)8-13(4)18-16(15)19-6-7-20-10-14(19)5/h8,11,14,17H,6-7,9-10H2,1-5H3.
What are the key properties of N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 277.41 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62281297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).