N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine

C14H23N3O — CID 83100255

IUPACN-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3O/c1-2-5-15-10-14-12-18-8-7-17(14)11-13-4-3-6-16-9-13/h3-4,6,9,14-15H,2,5,7-8,10-12H2,1H3
InChIKeyWTQMHLGVCCZXIR-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.28
Rot. Bonds6

About N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine

N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine (PubChem CID 83100255) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
PubChem CID83100255
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1COCCN1Cc1cccnc1
InChIInChI=1S/C14H23N3O/c1-2-5-15-10-14-12-18-8-7-17(14)11-13-4-3-6-16-9-13/h3-4,6,9,14-15H,2,5,7-8,10-12H2,1H3
InChIKeyWTQMHLGVCCZXIR-UHFFFAOYSA-N
XLogP1.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine (CID 83100255) is N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine is CCCNCC1COCCN1Cc1cccnc1.
What is the InChIKey of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
The InChIKey is WTQMHLGVCCZXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-5-15-10-14-12-18-8-7-17(14)11-13-4-3-6-16-9-13/h3-4,6,9,14-15H,2,5,7-8,10-12H2,1H3.
What are the key properties of N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine?
N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(pyridin-3-ylmethyl)morpholin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 83100255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).