N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine

C10H17N3O — CID 63767403

IUPACN-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NCCOCCN)nc1
InChIInChI=1S/C10H17N3O/c1-9-2-3-10(13-8-9)12-5-7-14-6-4-11/h2-3,8H,4-7,11H2,1H3,(H,12,13)
InChIKeyZFJNHMDXEGLJJA-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.78
Rot. Bonds6

About N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine

N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine (PubChem CID 63767403) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
PubChem CID63767403
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine
SMILESCc1ccc(NCCOCCN)nc1
InChIInChI=1S/C10H17N3O/c1-9-2-3-10(13-8-9)12-5-7-14-6-4-11/h2-3,8H,4-7,11H2,1H3,(H,12,13)
InChIKeyZFJNHMDXEGLJJA-UHFFFAOYSA-N
XLogP0.78
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.78
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]-5-methylpyridin-2-amine?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine (CID 63767403) is N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine is Cc1ccc(NCCOCCN)nc1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine?
The InChIKey is ZFJNHMDXEGLJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-9-2-3-10(13-8-9)12-5-7-14-6-4-11/h2-3,8H,4-7,11H2,1H3,(H,12,13).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine?
N-[2-(2-aminoethoxy)ethyl]-5-methylpyridin-2-amine has a molecular weight of 195.27 g/mol, XLogP of 0.78, 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]-5-methylpyridin-2-amine is sourced from PubChem (CID 63767403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).