3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane

C10H23N3 — CID 88579454

IUPAC3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane
SMILESCCC(C)C(C/N=N/N)C(C)(C)C
InChIInChI=1S/C10H23N3/c1-6-8(2)9(7-12-13-11)10(3,4)5/h8-9H,6-7H2,1-5H3,(H2,11,12)
InChIKeyKKDZPKQFCGSNAQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP3.02
Rot. Bonds4

About 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane

3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane (PubChem CID 88579454) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane.

Molecular Properties

Compound Name3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane
PubChem CID88579454
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane
SMILESCCC(C)C(C/N=N/N)C(C)(C)C
InChIInChI=1S/C10H23N3/c1-6-8(2)9(7-12-13-11)10(3,4)5/h8-9H,6-7H2,1-5H3,(H2,11,12)
InChIKeyKKDZPKQFCGSNAQ-UHFFFAOYSA-N
XLogP3.02
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane?
The IUPAC name of 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane (CID 88579454) is 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane.
What is the SMILES notation for 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane?
The canonical SMILES for 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane is CCC(C)C(C/N=N/N)C(C)(C)C.
What is the InChIKey of 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane?
The InChIKey is KKDZPKQFCGSNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-6-8(2)9(7-12-13-11)10(3,4)5/h8-9H,6-7H2,1-5H3,(H2,11,12).
What are the key properties of 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane?
3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane has a molecular weight of 185.31 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(aminodiazenyl)methyl]-2,2,4-trimethylhexane is sourced from PubChem (CID 88579454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).