N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine

C9H15N3O — CID 63767044

IUPACN-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
SMILESNCCOCCNc1ccncc1
InChIInChI=1S/C9H15N3O/c10-3-7-13-8-6-12-9-1-4-11-5-2-9/h1-2,4-5H,3,6-8,10H2,(H,11,12)
InChIKeyRFHQDIYPCSKPMI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.47
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine

N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine (PubChem CID 63767044) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
PubChem CID63767044
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[2-(2-aminoethoxy)ethyl]pyridin-4-amine
SMILESNCCOCCNc1ccncc1
InChIInChI=1S/C9H15N3O/c10-3-7-13-8-6-12-9-1-4-11-5-2-9/h1-2,4-5H,3,6-8,10H2,(H,11,12)
InChIKeyRFHQDIYPCSKPMI-UHFFFAOYSA-N
XLogP0.47
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.47
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine (CID 63767044) is N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine is NCCOCCNc1ccncc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine?
The InChIKey is RFHQDIYPCSKPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-3-7-13-8-6-12-9-1-4-11-5-2-9/h1-2,4-5H,3,6-8,10H2,(H,11,12).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine?
N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine has a molecular weight of 181.24 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]pyridin-4-amine is sourced from PubChem (CID 63767044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).