(Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium

C12H23N2O2+ — CID 174066361

IUPAC(Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium
SMILESC=C(O/C(C)=[N+](\N)C(C)C(=C)OC)C(C)C
InChIInChI=1S/C12H23N2O2/c1-8(2)10(4)16-12(6)14(13)9(3)11(5)15-7/h8-9H,4-5,13H2,1-3,6-7H3/q+1/b14-12-
InChIKeyBPSCULCKMZERMS-OWBHPGMISA-N
MW227.33 g/mol
LogP2.03
Rot. Bonds5

About (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium

(Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium (PubChem CID 174066361) has the molecular formula C12H23N2O2+ and a molecular weight of 227.33 g/mol. Its IUPAC name is (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium.

Molecular Properties

Compound Name(Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium
PubChem CID174066361
Molecular FormulaC12H23N2O2+
Molecular Weight227.33 g/mol
Exact Mass227.18
IUPAC Name(Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium
SMILESC=C(O/C(C)=[N+](\N)C(C)C(=C)OC)C(C)C
InChIInChI=1S/C12H23N2O2/c1-8(2)10(4)16-12(6)14(13)9(3)11(5)15-7/h8-9H,4-5,13H2,1-3,6-7H3/q+1/b14-12-
InChIKeyBPSCULCKMZERMS-OWBHPGMISA-N
XLogP2.03
TPSA47.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-3-methylbut-1-ene;molecular hydrogen
CID 159874902
2-methylpropane;prop-1-en-2-amine
CID 174893746
4-amino-5-methoxyhex-5-en-2-one
CID 123447275
(2R)-3-methoxy-N-methylbut-3-en-2-amine
CID 178015260
methyl 4-[4-[3-methyl-5-(2-methylprop-2-enoyloxy)pentoxy]carbonylcyclohexyl]cyclohexane-1-carboxylate
CID 155644210
methyl 2-amino-3-methylbutanoate chloride
CID 3083912
methyl 3-methyl-2-methylidenebutanoate
CID 534902
methyl 2-methylpropanoate;titanium
CID 174633551
methyl (3-methyl-2-methylidenebutyl) carbonate
CID 15026489
methyl (3R)-2-hydroxy-3,4-dimethylpent-4-enoate
CID 134904639
acetamide;2-methoxyprop-1-ene;2-methylprop-1-ene
CID 165093716
ethane;methane;1-methoxyethylidenetungsten;2-methylpropane;bis(propan-2-ylidenetungsten)
CID 161251466

Frequently Asked Questions

What is the IUPAC name of (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium?
The IUPAC name of (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium (CID 174066361) is (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium.
What is the SMILES notation for (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium?
The canonical SMILES for (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium is C=C(O/C(C)=[N+](\N)C(C)C(=C)OC)C(C)C.
What is the InChIKey of (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium?
The InChIKey is BPSCULCKMZERMS-OWBHPGMISA-N. The full InChI is InChI=1S/C12H23N2O2/c1-8(2)10(4)16-12(6)14(13)9(3)11(5)15-7/h8-9H,4-5,13H2,1-3,6-7H3/q+1/b14-12-.
What are the key properties of (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium?
(Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium has a molecular weight of 227.33 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-amino-(3-methoxybut-3-en-2-yl)-[1-(3-methylbut-1-en-2-yloxy)ethylidene]azanium is sourced from PubChem (CID 174066361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).