6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine

C11H18N4O — CID 103340205

IUPAC6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
SMILESC=CCN(CCOC)c1ccc(CN)nn1
InChIInChI=1S/C11H18N4O/c1-3-6-15(7-8-16-2)11-5-4-10(9-12)13-14-11/h3-5H,1,6-9,12H2,2H3
InChIKeyKNDYOWZFVABPIB-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.57
Rot. Bonds7

About 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine

6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine (PubChem CID 103340205) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
PubChem CID103340205
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
SMILESC=CCN(CCOC)c1ccc(CN)nn1
InChIInChI=1S/C11H18N4O/c1-3-6-15(7-8-16-2)11-5-4-10(9-12)13-14-11/h3-5H,1,6-9,12H2,2H3
InChIKeyKNDYOWZFVABPIB-UHFFFAOYSA-N
XLogP0.57
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 62284666
N-(2-methoxyethyl)-5-(methylaminomethyl)-N-prop-2-enylpyridin-2-amine
CID 103340163
N-(2-methoxyethyl)-6-methyl-5-[(propan-2-ylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340081
4-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103339243
6-[(tert-butylamino)methyl]-5-chloro-N-(2-methoxyethyl)-N-prop-2-enylpyridin-2-amine
CID 103340062
[2-[2-methoxyethyl(prop-2-enyl)amino]quinolin-4-yl]methanol
CID 103340021
6-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridin-2-amine
CID 62286223
N-(2-methoxyethyl)-4-[(2-methylpropylamino)methyl]-N-prop-2-enylpyridin-2-amine
CID 103340117
N-(2-methoxyethyl)-5-[(2-methylpropylamino)methyl]-N-prop-2-enylpyrazin-2-amine
CID 107381055
6-bromo-2-N-(2-methoxyethyl)-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 103340783
4-(ethylaminomethyl)-N-(2-methoxyethyl)-N-prop-2-enyl-6-propylpyridin-2-amine
CID 103340202
6-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridazin-3-amine
CID 54989774

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine?
The IUPAC name of 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine (CID 103340205) is 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine.
What is the SMILES notation for 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine?
The canonical SMILES for 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine is C=CCN(CCOC)c1ccc(CN)nn1.
What is the InChIKey of 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine?
The InChIKey is KNDYOWZFVABPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-6-15(7-8-16-2)11-5-4-10(9-12)13-14-11/h3-5H,1,6-9,12H2,2H3.
What are the key properties of 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine?
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine has a molecular weight of 222.29 g/mol, XLogP of 0.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine is sourced from PubChem (CID 103340205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).