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

C14H23N3O — CID 62281138

IUPACN-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1N1CCOCC1C
InChIInChI=1S/C14H23N3O/c1-11(2)16-9-13-5-4-6-15-14(13)17-7-8-18-10-12(17)3/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyBXXNZCVWTGVTPA-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.80
Rot. Bonds4

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

N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (PubChem CID 62281138) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
PubChem CID62281138
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine
SMILESCC(C)NCc1cccnc1N1CCOCC1C
InChIInChI=1S/C14H23N3O/c1-11(2)16-9-13-5-4-6-15-14(13)17-7-8-18-10-12(17)3/h4-6,11-12,16H,7-10H2,1-3H3
InChIKeyBXXNZCVWTGVTPA-UHFFFAOYSA-N
XLogP1.80
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine (CID 62281138) is N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is CC(C)NCc1cccnc1N1CCOCC1C.
What is the InChIKey of N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
The InChIKey is BXXNZCVWTGVTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)16-9-13-5-4-6-15-14(13)17-7-8-18-10-12(17)3/h4-6,11-12,16H,7-10H2,1-3H3.
What are the key properties of N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine?
N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine has a molecular weight of 249.36 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-methylmorpholin-4-yl)-3-pyridinyl]methyl]propan-2-amine is sourced from PubChem (CID 62281138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).