3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

C13H23N3O — CID 114057477

IUPAC3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncccc1CCN)C(C)C
InChIInChI=1S/C13H23N3O/c1-11(2)16(9-10-17-3)13-12(6-7-14)5-4-8-15-13/h4-5,8,11H,6-7,9-10,14H2,1-3H3
InChIKeyGPYYKAFHIIJYCE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.44
Rot. Bonds7

About 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine

3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 114057477) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID114057477
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
SMILESCOCCN(c1ncccc1CCN)C(C)C
InChIInChI=1S/C13H23N3O/c1-11(2)16(9-10-17-3)13-12(6-7-14)5-4-8-15-13/h4-5,8,11H,6-7,9-10,14H2,1-3H3
InChIKeyGPYYKAFHIIJYCE-UHFFFAOYSA-N
XLogP1.44
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 107055721
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carbothioamide
CID 82951921
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-3-carboxylic acid
CID 82952199
N-[2-(2-aminoethoxy)ethyl]-3-methoxy-N-propan-2-ylpyridin-2-amine
CID 114276414
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
CID 62734529
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-3-amine
CID 82948054
N'-propan-2-yl-N'-[3-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
CID 55218815
N-(2-methoxyethyl)-3-(methylaminomethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 62282007
3-N-(2-methoxyethyl)-3-N-propan-2-ylquinoxaline-2,3-diamine
CID 102987053
N'-hydroxy-2-[2-methoxyethyl(propan-2-yl)amino]-4-methylpyridine-3-carboximidamide
CID 82951393
2-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbaldehyde
CID 114055511

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine (CID 114057477) is 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is COCCN(c1ncccc1CCN)C(C)C.
What is the InChIKey of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is GPYYKAFHIIJYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11(2)16(9-10-17-3)13-12(6-7-14)5-4-8-15-13/h4-5,8,11H,6-7,9-10,14H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine?
3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 114057477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).