2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine

C14H25N3O — CID 80820194

IUPAC2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
SMILESCCNc1cccc(NCCOCCC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-15-13-6-5-7-14(17-13)16-9-11-18-10-8-12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H2,15,16,17)
InChIKeyHWNHQPYLWRAQDD-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.99
Rot. Bonds9

About 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine

2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine (PubChem CID 80820194) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
PubChem CID80820194
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine
SMILESCCNc1cccc(NCCOCCC(C)C)n1
InChIInChI=1S/C14H25N3O/c1-4-15-13-6-5-7-14(17-13)16-9-11-18-10-8-12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H2,15,16,17)
InChIKeyHWNHQPYLWRAQDD-UHFFFAOYSA-N
XLogP2.99
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.99
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

N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
CID 80862265
6-N-(2-cyclopentyloxyethyl)-2-N-ethylpyridine-2,6-diamine
CID 80846644
N-[2-(3-methylbutoxy)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 113296697
6-(3-methylbutoxy)-N-propylpyridin-2-amine
CID 80859395
2-N-ethyl-6-N-(6-methylheptan-2-yl)pyridine-2,6-diamine
CID 80800465
2-N-ethyl-6-N-(2-fluoroethyl)pyridine-2,6-diamine
CID 130505047
2-N-ethyl-6-N-(4-methoxybutan-2-yl)pyridine-2,6-diamine
CID 80843613
6-chloro-4-N-ethyl-2-N-[2-(3-methylbutoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 80819261
6-hydrazinyl-N-(3-methylbutyl)pyridin-2-amine
CID 80931651
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-hydrazinyl-4-N-[2-(3-methylbutoxy)ethyl]pyrimidine-2,4-diamine
CID 80903582
6-chloro-N-[2-[2-[2-[(6-chloro-2-pyridinyl)amino]ethoxy]ethoxy]ethyl]pyridin-2-amine
CID 101398050

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine?
The IUPAC name of 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine (CID 80820194) is 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine.
What is the SMILES notation for 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine?
The canonical SMILES for 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine is CCNc1cccc(NCCOCCC(C)C)n1.
What is the InChIKey of 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine?
The InChIKey is HWNHQPYLWRAQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-15-13-6-5-7-14(17-13)16-9-11-18-10-8-12(2)3/h5-7,12H,4,8-11H2,1-3H3,(H2,15,16,17).
What are the key properties of 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine?
2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine has a molecular weight of 251.37 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-N-[2-(3-methylbutoxy)ethyl]pyridine-2,6-diamine is sourced from PubChem (CID 80820194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).