[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine

C12H25N3O — CID 105248190

IUPAC[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(14-13)12-8-15(10(3)4)5-6-16-12/h10-12,14H,1,5-8,13H2,2-4H3
InChIKeyCDKJQUUGKPSDLF-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.89
Rot. Bonds5

About [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine

[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine (PubChem CID 105248190) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
PubChem CID105248190
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
SMILESC=C(C)CC(NN)C1CN(C(C)C)CCO1
InChIInChI=1S/C12H25N3O/c1-9(2)7-11(14-13)12-8-15(10(3)4)5-6-16-12/h10-12,14H,1,5-8,13H2,2-4H3
InChIKeyCDKJQUUGKPSDLF-UHFFFAOYSA-N
XLogP0.89
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-(4-propan-2-ylmorpholin-2-yl)-N-propylbut-3-en-1-amine
CID 79662653
3-methylidene-1-(4-propan-2-ylmorpholin-2-yl)-N-propylpentan-1-amine
CID 79664074
[1-(4-propan-2-ylmorpholin-2-yl)-2-(1,3-thiazol-5-yl)ethyl]hydrazine
CID 105248061
N-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-en-1-amine
CID 79664293
1-(4-propan-2-ylmorpholin-2-yl)ethanol
CID 79663544
[2-(2,3-difluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]hydrazine
CID 105248189
N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79186078
[2-(3-chloro-2-fluorophenyl)-1-(4-propan-2-ylmorpholin-2-yl)ethyl]hydrazine
CID 102867978
N,3-diethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 82923183
1-(4-propan-2-ylmorpholin-2-yl)-N-propylpent-4-en-1-amine
CID 79663133
[oxolan-3-yl-(4-propan-2-ylmorpholin-2-yl)methyl]hydrazine
CID 105248049
N-ethyl-4,4-dimethyl-1-(4-propan-2-ylmorpholin-2-yl)pentan-1-amine
CID 79665225

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine?
The IUPAC name of [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine (CID 105248190) is [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine?
The canonical SMILES for [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine is C=C(C)CC(NN)C1CN(C(C)C)CCO1.
What is the InChIKey of [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine?
The InChIKey is CDKJQUUGKPSDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-9(2)7-11(14-13)12-8-15(10(3)4)5-6-16-12/h10-12,14H,1,5-8,13H2,2-4H3.
What are the key properties of [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine?
[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine has a molecular weight of 227.35 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine is sourced from PubChem (CID 105248190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).