4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

C20H22N3O+ — CID 59301466

IUPAC4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
SMILESNc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C20H21N3O/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23/h1-8,13H,9-12,14,21H2/p+1
InChIKeyUCPVBLRLRLJZRP-UHFFFAOYSA-O
MW320.42 g/mol
LogP1.90
Rot. Bonds3

About 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine

4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (PubChem CID 59301466) has the molecular formula C20H22N3O+ and a molecular weight of 320.42 g/mol. Its IUPAC name is 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
PubChem CID59301466
Molecular FormulaC20H22N3O+
Molecular Weight320.42 g/mol
Exact Mass320.18
IUPAC Name4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine
SMILESNc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12
InChIInChI=1S/C20H21N3O/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23/h1-8,13H,9-12,14,21H2/p+1
InChIKeyUCPVBLRLRLJZRP-UHFFFAOYSA-O
XLogP1.90
TPSA52.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The IUPAC name of 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine (CID 59301466) is 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine.
What is the SMILES notation for 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The canonical SMILES for 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is Nc1ccc(-c2ccc(C[NH+]3CCOCC3)nc2)c2ccccc12.
What is the InChIKey of 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
The InChIKey is UCPVBLRLRLJZRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21N3O/c21-20-8-7-17(18-3-1-2-4-19(18)20)15-5-6-16(22-13-15)14-23-9-11-24-12-10-23/h1-8,13H,9-12,14,21H2/p+1.
What are the key properties of 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine?
4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine has a molecular weight of 320.42 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(morpholin-4-ium-4-ylmethyl)-3-pyridinyl]naphthalen-1-amine is sourced from PubChem (CID 59301466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).