4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine

C15H25N3O — CID 103339243

IUPAC4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CCOC)c1cc(C(C)NCC)ccn1
InChIInChI=1S/C15H25N3O/c1-5-9-18(10-11-19-4)15-12-14(7-8-17-15)13(3)16-6-2/h5,7-8,12-13,16H,1,6,9-11H2,2-4H3
InChIKeyNJHVOXDSJBOSSL-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.39
Rot. Bonds9

About 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine

4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine (PubChem CID 103339243) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
PubChem CID103339243
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
SMILESC=CCN(CCOC)c1cc(C(C)NCC)ccn1
InChIInChI=1S/C15H25N3O/c1-5-9-18(10-11-19-4)15-12-14(7-8-17-15)13(3)16-6-2/h5,7-8,12-13,16H,1,6,9-11H2,2-4H3
InChIKeyNJHVOXDSJBOSSL-UHFFFAOYSA-N
XLogP2.39
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
N-(2-methoxyethyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]pyridin-2-amine
CID 82951129
2-[1-(ethylamino)ethyl]-3-methoxy-N-(2-methoxyethyl)-N-prop-2-enylaniline
CID 103339209
2-[1-(ethylamino)ethyl]-4-fluoro-N-(2-methoxyethyl)-5-methyl-N-prop-2-enylaniline
CID 103339205
N-(2-methoxyethyl)-2-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-4-amine
CID 103340187
N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340081
4-[(1S)-1-aminoethyl]-N,N-bis(2-ethoxyethyl)pyridin-2-amine
CID 82951786
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
CID 103340205
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-6-propylpyridin-2-amine
CID 103340202
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-2-amine
CID 55059734
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107381055
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
The IUPAC name of 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine (CID 103339243) is 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
The canonical SMILES for 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine is C=CCN(CCOC)c1cc(C(C)NCC)ccn1.
What is the InChIKey of 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
The InChIKey is NJHVOXDSJBOSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-9-18(10-11-19-4)15-12-14(7-8-17-15)13(3)16-6-2/h5,7-8,12-13,16H,1,6,9-11H2,2-4H3.
What are the key properties of 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine?
4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine has a molecular weight of 263.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine is sourced from PubChem (CID 103339243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).