3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium

C69H156N10O10 — CID 159023551

IUPAC3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium
SMILES[CH2-][NH2+]C(C)C(C)OC.[CH2-][NH2+]C(C)C(C)OCC.[CH2-][NH2+]C(C)COC.[CH2-][NH2+]C(C)COCC.[CH2-][NH2+]CC1(C)CCCCO1.[CH2-][NH2+]CC1(C)CCCOC1.[CH2-][NH2+]CC1(C)CCOCC1.[CH2-][NH2+]CC1CCCCO1.[CH2-][NH2+]CC1CCCOC1.[CH2-][NH2+]CC1CCOCC1
InChIInChI=1S/3C8H17NO.3C7H15NO.C7H17NO.2C6H15NO.C5H13NO/c1-8(7-9-2)3-5-10-6-4-8;1-8(6-9-2)4-3-5-10-7-8;1-8(7-9-2)5-3-4-6-10-8;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-8-6-7-4-2-3-5-9-7;1-5-9-7(3)6(2)8-4;1-5(7-3)6(2)8-4;1-4-8-5-6(2)7-3;1-5(6-2)4-7-3/h3*2-7,9H2,1H3;3*7H,1-6,8H2;6-7H,4-5,8H2,1-3H3;5-6H,3,7H2,1-2,4H3;6H,3-5,7H2,1-2H3;5H,2,4,6H2,1,3H3
InChIKeyJTZSRPVHKXFAOR-UHFFFAOYSA-N
MW1286.07 g/mol
LogP-0.87
Rot. Bonds26

About 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium

3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium (PubChem CID 159023551) has the molecular formula C69H156N10O10 and a molecular weight of 1286.07 g/mol. Its IUPAC name is 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium.

Molecular Properties

Compound Name3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium
PubChem CID159023551
Molecular FormulaC69H156N10O10
Molecular Weight1286.07 g/mol
Exact Mass1285.20
IUPAC Name3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium
SMILES[CH2-][NH2+]C(C)C(C)OC.[CH2-][NH2+]C(C)C(C)OCC.[CH2-][NH2+]C(C)COC.[CH2-][NH2+]C(C)COCC.[CH2-][NH2+]CC1(C)CCCCO1.[CH2-][NH2+]CC1(C)CCCOC1.[CH2-][NH2+]CC1(C)CCOCC1.[CH2-][NH2+]CC1CCCCO1.[CH2-][NH2+]CC1CCCOC1.[CH2-][NH2+]CC1CCOCC1
InChIInChI=1S/3C8H17NO.3C7H15NO.C7H17NO.2C6H15NO.C5H13NO/c1-8(7-9-2)3-5-10-6-4-8;1-8(6-9-2)4-3-5-10-7-8;1-8(7-9-2)5-3-4-6-10-8;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-8-6-7-4-2-3-5-9-7;1-5-9-7(3)6(2)8-4;1-5(7-3)6(2)8-4;1-4-8-5-6(2)7-3;1-5(6-2)4-7-3/h3*2-7,9H2,1H3;3*7H,1-6,8H2;6-7H,4-5,8H2,1-3H3;5-6H,3,7H2,1-2,4H3;6H,3-5,7H2,1-2H3;5H,2,4,6H2,1,3H3
InChIKeyJTZSRPVHKXFAOR-UHFFFAOYSA-N
XLogP-0.87
TPSA258.40 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds26
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.07
LogP ≤ 5-0.87
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium?
The IUPAC name of 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium (CID 159023551) is 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium.
What is the SMILES notation for 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium?
The canonical SMILES for 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium is [CH2-][NH2+]C(C)C(C)OC.[CH2-][NH2+]C(C)C(C)OCC.[CH2-][NH2+]C(C)COC.[CH2-][NH2+]C(C)COCC.[CH2-][NH2+]CC1(C)CCCCO1.[CH2-][NH2+]CC1(C)CCCOC1.[CH2-][NH2+]CC1(C)CCOCC1.[CH2-][NH2+]CC1CCCCO1.[CH2-][NH2+]CC1CCCOC1.[CH2-][NH2+]CC1CCOCC1.
What is the InChIKey of 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium?
The InChIKey is JTZSRPVHKXFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H17NO.3C7H15NO.C7H17NO.2C6H15NO.C5H13NO/c1-8(7-9-2)3-5-10-6-4-8;1-8(6-9-2)4-3-5-10-7-8;1-8(7-9-2)5-3-4-6-10-8;1-8-6-7-2-4-9-5-3-7;1-8-5-7-3-2-4-9-6-7;1-8-6-7-4-2-3-5-9-7;1-5-9-7(3)6(2)8-4;1-5(7-3)6(2)8-4;1-4-8-5-6(2)7-3;1-5(6-2)4-7-3/h3*2-7,9H2,1H3;3*7H,1-6,8H2;6-7H,4-5,8H2,1-3H3;5-6H,3,7H2,1-2,4H3;6H,3-5,7H2,1-2H3;5H,2,4,6H2,1,3H3.
What are the key properties of 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium?
3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium has a molecular weight of 1286.07 g/mol, XLogP of -0.87, 26 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxybutan-2-yl(methanidyl)azanium;1-ethoxypropan-2-yl(methanidyl)azanium;methanidyl(3-methoxybutan-2-yl)azanium;methanidyl(1-methoxypropan-2-yl)azanium;methanidyl-[(2-methyloxan-2-yl)methyl]azanium;methanidyl-[(3-methyloxan-3-yl)methyl]azanium;methanidyl-[(4-methyloxan-4-yl)methyl]azanium;methanidyl(oxan-2-ylmethyl)azanium;methanidyl(oxan-3-ylmethyl)azanium;methanidyl(oxan-4-ylmethyl)azanium is sourced from PubChem (CID 159023551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).