6-ethoxy-N-hex-5-ynylpyridin-2-amine

C13H18N2O — CID 106214456

IUPAC6-ethoxy-N-hex-5-ynylpyridin-2-amine
SMILESC#CCCCCNc1cccc(OCC)n1
InChIInChI=1S/C13H18N2O/c1-3-5-6-7-11-14-12-9-8-10-13(15-12)16-4-2/h1,8-10H,4-7,11H2,2H3,(H,14,15)
InChIKeyUSUVRIVBLAEKOY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds7

About 6-ethoxy-N-hex-5-ynylpyridin-2-amine

6-ethoxy-N-hex-5-ynylpyridin-2-amine (PubChem CID 106214456) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-ethoxy-N-hex-5-ynylpyridin-2-amine.

Molecular Properties

Compound Name6-ethoxy-N-hex-5-ynylpyridin-2-amine
PubChem CID106214456
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name6-ethoxy-N-hex-5-ynylpyridin-2-amine
SMILESC#CCCCCNc1cccc(OCC)n1
InChIInChI=1S/C13H18N2O/c1-3-5-6-7-11-14-12-9-8-10-13(15-12)16-4-2/h1,8-10H,4-7,11H2,2H3,(H,14,15)
InChIKeyUSUVRIVBLAEKOY-UHFFFAOYSA-N
XLogP2.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-ethoxy-2-pyridinyl)amino]pentan-1-ol
CID 107318017
6-ethoxy-N-(3-methoxypropyl)pyridin-2-amine
CID 63590219
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684
N-(2-chloroethyl)-6-ethoxypyridin-2-amine
CID 65029665
N-propyl-6-prop-2-ynoxypyridin-2-amine
CID 80861470
methyl 3-[(6-ethoxy-2-pyridinyl)amino]propanoate
CID 63591109
6-ethoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 107851217
6-(hex-5-ynylamino)pyridine-2-carboxylic acid
CID 106213743
tert-butyl N-[2-[(6-ethoxy-2-pyridinyl)amino]ethyl]carbamate
CID 115735888
N'-cyclopropyl-N-(6-ethoxy-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 63591133
6-ethoxy-N-(2-methoxy-2-methylpropyl)pyridin-2-amine
CID 104762565
N-pent-4-ynylpyridin-2-amine
CID 103704473

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-hex-5-ynylpyridin-2-amine?
The IUPAC name of 6-ethoxy-N-hex-5-ynylpyridin-2-amine (CID 106214456) is 6-ethoxy-N-hex-5-ynylpyridin-2-amine.
What is the SMILES notation for 6-ethoxy-N-hex-5-ynylpyridin-2-amine?
The canonical SMILES for 6-ethoxy-N-hex-5-ynylpyridin-2-amine is C#CCCCCNc1cccc(OCC)n1.
What is the InChIKey of 6-ethoxy-N-hex-5-ynylpyridin-2-amine?
The InChIKey is USUVRIVBLAEKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-6-7-11-14-12-9-8-10-13(15-12)16-4-2/h1,8-10H,4-7,11H2,2H3,(H,14,15).
What are the key properties of 6-ethoxy-N-hex-5-ynylpyridin-2-amine?
6-ethoxy-N-hex-5-ynylpyridin-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-hex-5-ynylpyridin-2-amine is sourced from PubChem (CID 106214456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).