methanidyl-[(3-methyloxan-3-yl)methyl]azanium

C8H17NO — CID 155624871

IUPACmethanidyl-[(3-methyloxan-3-yl)methyl]azanium
SMILES[CH2-][NH2+]CC1(C)CCCOC1
InChIInChI=1S/C8H17NO/c1-8(6-9-2)4-3-5-10-7-8/h2-7,9H2,1H3
InChIKeyMOEGXSBVAQEOKM-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.16
Rot. Bonds2

About methanidyl-[(3-methyloxan-3-yl)methyl]azanium

methanidyl-[(3-methyloxan-3-yl)methyl]azanium (PubChem CID 155624871) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is methanidyl-[(3-methyloxan-3-yl)methyl]azanium.

Molecular Properties

Compound Namemethanidyl-[(3-methyloxan-3-yl)methyl]azanium
PubChem CID155624871
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Namemethanidyl-[(3-methyloxan-3-yl)methyl]azanium
SMILES[CH2-][NH2+]CC1(C)CCCOC1
InChIInChI=1S/C8H17NO/c1-8(6-9-2)4-3-5-10-7-8/h2-7,9H2,1H3
InChIKeyMOEGXSBVAQEOKM-UHFFFAOYSA-N
XLogP0.16
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methanidyl-[(3-methyloxan-3-yl)methyl]azanium?
The IUPAC name of methanidyl-[(3-methyloxan-3-yl)methyl]azanium (CID 155624871) is methanidyl-[(3-methyloxan-3-yl)methyl]azanium.
What is the SMILES notation for methanidyl-[(3-methyloxan-3-yl)methyl]azanium?
The canonical SMILES for methanidyl-[(3-methyloxan-3-yl)methyl]azanium is [CH2-][NH2+]CC1(C)CCCOC1.
What is the InChIKey of methanidyl-[(3-methyloxan-3-yl)methyl]azanium?
The InChIKey is MOEGXSBVAQEOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(6-9-2)4-3-5-10-7-8/h2-7,9H2,1H3.
What are the key properties of methanidyl-[(3-methyloxan-3-yl)methyl]azanium?
methanidyl-[(3-methyloxan-3-yl)methyl]azanium has a molecular weight of 143.23 g/mol, XLogP of 0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methanidyl-[(3-methyloxan-3-yl)methyl]azanium is sourced from PubChem (CID 155624871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).