methanamine;octane

C11H33N3 — CID 174301406

IUPACmethanamine;octane
SMILESCCCCCCCC.CN.CN.CN
InChIInChI=1S/C8H18.3CH5N/c1-3-5-7-8-6-4-2;3*1-2/h3-8H2,1-2H3;3*2H2,1H3
InChIKeyMGPGXDMRGBJKCZ-UHFFFAOYSA-N
MW207.41 g/mol
LogP2.09
Rot. Bonds5

About methanamine;octane

methanamine;octane (PubChem CID 174301406) has the molecular formula C11H33N3 and a molecular weight of 207.41 g/mol. Its IUPAC name is methanamine;octane.

Molecular Properties

Compound Namemethanamine;octane
PubChem CID174301406
Molecular FormulaC11H33N3
Molecular Weight207.41 g/mol
Exact Mass207.27
IUPAC Namemethanamine;octane
SMILESCCCCCCCC.CN.CN.CN
InChIInChI=1S/C8H18.3CH5N/c1-3-5-7-8-6-4-2;3*1-2/h3-8H2,1-2H3;3*2H2,1H3
InChIKeyMGPGXDMRGBJKCZ-UHFFFAOYSA-N
XLogP2.09
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.41
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methanamine;tris(octane)
CID 173014836
decane;methanamine
CID 159574300
methanamine;nonane
CID 155694820
hexadecane;methanamine;hydrobromide
CID 175276433
heptadecane;hydrazine
CID 174880698
hydrazine;pentadecane
CID 174880620
triacontane
CID 12535
dictane
CID 19848341
dohexacontane
CID 522644
hexadecane;pentadecane
CID 159687875
dooctacontane
CID 522649
hexacosane;octacosane
CID 158944700

Frequently Asked Questions

What is the IUPAC name of methanamine;octane?
The IUPAC name of methanamine;octane (CID 174301406) is methanamine;octane.
What is the SMILES notation for methanamine;octane?
The canonical SMILES for methanamine;octane is CCCCCCCC.CN.CN.CN.
What is the InChIKey of methanamine;octane?
The InChIKey is MGPGXDMRGBJKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.3CH5N/c1-3-5-7-8-6-4-2;3*1-2/h3-8H2,1-2H3;3*2H2,1H3.
What are the key properties of methanamine;octane?
methanamine;octane has a molecular weight of 207.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;octane is sourced from PubChem (CID 174301406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).