[(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine

C11H24N2 — CID 122659056

IUPAC[(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine
SMILESCC(C)(C)C/C(=N\CN)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-10(2,3)7-9(13-8-12)11(4,5)6/h7-8,12H2,1-6H3/b13-9+
InChIKeyLDXWRQATGWJYOC-UKTHLTGXSA-N
MW184.33 g/mol
LogP2.83
Rot. Bonds2

About [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine

[(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine (PubChem CID 122659056) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine.

Molecular Properties

Compound Name[(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine
PubChem CID122659056
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name[(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine
SMILESCC(C)(C)C/C(=N\CN)C(C)(C)C
InChIInChI=1S/C11H24N2/c1-10(2,3)7-9(13-8-12)11(4,5)6/h7-8,12H2,1-6H3/b13-9+
InChIKeyLDXWRQATGWJYOC-UKTHLTGXSA-N
XLogP2.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine?
The IUPAC name of [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine (CID 122659056) is [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine.
What is the SMILES notation for [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine?
The canonical SMILES for [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine is CC(C)(C)C/C(=N\CN)C(C)(C)C.
What is the InChIKey of [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine?
The InChIKey is LDXWRQATGWJYOC-UKTHLTGXSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(2,3)7-9(13-8-12)11(4,5)6/h7-8,12H2,1-6H3/b13-9+.
What are the key properties of [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine?
[(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine has a molecular weight of 184.33 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,2,5,5-tetramethylhexan-3-ylideneamino]methanamine is sourced from PubChem (CID 122659056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).