N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine

C12H19N3O — CID 115238152

IUPACN-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCC2COCCN2)c1
InChIInChI=1S/C12H19N3O/c1-2-11(8-13-4-1)3-5-14-9-12-10-16-7-6-15-12/h1-2,4,8,12,14-15H,3,5-7,9-10H2
InChIKeyKZNVHTUCYQGTFK-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.20
Rot. Bonds5

About N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine

N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine (PubChem CID 115238152) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine.

Molecular Properties

Compound NameN-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
PubChem CID115238152
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine
SMILESc1cncc(CCNCC2COCCN2)c1
InChIInChI=1S/C12H19N3O/c1-2-11(8-13-4-1)3-5-14-9-12-10-16-7-6-15-12/h1-2,4,8,12,14-15H,3,5-7,9-10H2
InChIKeyKZNVHTUCYQGTFK-UHFFFAOYSA-N
XLogP0.20
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
2-(3-methoxyphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238155
N-methyl-2-morpholin-3-yl-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239048
N-(cyclopentylmethyl)-2-pyridin-3-ylethanamine
CID 61344810
2-morpholin-3-yl-1-pyridin-3-ylethanone
CID 115777328
2-(4-fluoro-3-methylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238118
N-(morpholin-3-ylmethyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 115238131
2-(2,4-dimethylphenyl)-N-(morpholin-3-ylmethyl)ethanamine
CID 115238123
1-[(2R)-piperidin-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 97178382
2-methyl-N-(morpholin-3-ylmethyl)-2-pyridin-4-ylpropan-1-amine
CID 115238222
2-(oxan-3-yl)-N-(2-pyridin-3-ylethyl)acetamide
CID 119062728
2-(4-methylpiperazin-2-yl)-N-(2-pyridin-3-ylethyl)ethanamine
CID 115239483

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine?
The IUPAC name of N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine (CID 115238152) is N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine.
What is the SMILES notation for N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine?
The canonical SMILES for N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine is c1cncc(CCNCC2COCCN2)c1.
What is the InChIKey of N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine?
The InChIKey is KZNVHTUCYQGTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-11(8-13-4-1)3-5-14-9-12-10-16-7-6-15-12/h1-2,4,8,12,14-15H,3,5-7,9-10H2.
What are the key properties of N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine?
N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine has a molecular weight of 221.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-3-ylmethyl)-2-pyridin-3-ylethanamine is sourced from PubChem (CID 115238152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).