2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine

C9H19N3O2 — CID 145229984

IUPAC2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine
SMILESC=CC(=CNCCOCCOC)NN
InChIInChI=1S/C9H19N3O2/c1-3-9(12-10)8-11-4-5-14-7-6-13-2/h3,8,11-12H,1,4-7,10H2,2H3
InChIKeyCNBRAULAASVKQP-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.27
Rot. Bonds9

About 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine

2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine (PubChem CID 145229984) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine
PubChem CID145229984
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC Name2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine
SMILESC=CC(=CNCCOCCOC)NN
InChIInChI=1S/C9H19N3O2/c1-3-9(12-10)8-11-4-5-14-7-6-13-2/h3,8,11-12H,1,4-7,10H2,2H3
InChIKeyCNBRAULAASVKQP-UHFFFAOYSA-N
XLogP-0.27
TPSA68.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-[amino-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]amino]prop-1-en-2-amine
CID 130458419
3-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethyl]-5-methyl-1,2-dihydrotriazole
CID 130458448
(Z)-2-hydrazinyl-3-[2-(2-methoxyethoxy)ethylamino]prop-2-en-1-ol
CID 135136811
(Z)-2-hydrazinyl-3-[2-(2-methoxyethoxy)ethoxy]-N-methylprop-1-en-1-amine
CID 164602472
(Z)-1-[amino-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]amino]prop-1-en-2-amine
CID 169106552
(Z)-N-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-2-hydrazinylprop-1-en-1-amine
CID 176704890

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine?
The IUPAC name of 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine (CID 145229984) is 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine.
What is the SMILES notation for 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine?
The canonical SMILES for 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine is C=CC(=CNCCOCCOC)NN.
What is the InChIKey of 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine?
The InChIKey is CNBRAULAASVKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-3-9(12-10)8-11-4-5-14-7-6-13-2/h3,8,11-12H,1,4-7,10H2,2H3.
What are the key properties of 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine?
2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine has a molecular weight of 201.27 g/mol, XLogP of -0.27, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-[2-(2-methoxyethoxy)ethyl]buta-1,3-dien-1-amine is sourced from PubChem (CID 145229984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).