2-methanidyl-2-methylhexane

C8H17- — CID 91131818

IUPAC2-methanidyl-2-methylhexane
SMILES[CH2-]C(C)(C)CCCC
InChIInChI=1S/C8H17/c1-5-6-7-8(2,3)4/h2,5-7H2,1,3-4H3/q-1
InChIKeyWBNMKNSQBBPAID-UHFFFAOYSA-N
MW113.22 g/mol
LogP3.04
Rot. Bonds3

About 2-methanidyl-2-methylhexane

2-methanidyl-2-methylhexane (PubChem CID 91131818) has the molecular formula C8H17- and a molecular weight of 113.22 g/mol. Its IUPAC name is 2-methanidyl-2-methylhexane.

Molecular Properties

Compound Name2-methanidyl-2-methylhexane
PubChem CID91131818
Molecular FormulaC8H17-
Molecular Weight113.22 g/mol
Exact Mass113.13
IUPAC Name2-methanidyl-2-methylhexane
SMILES[CH2-]C(C)(C)CCCC
InChIInChI=1S/C8H17/c1-5-6-7-8(2,3)4/h2,5-7H2,1,3-4H3/q-1
InChIKeyWBNMKNSQBBPAID-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.22
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2-methanidyl-2-methylhexane?
The IUPAC name of 2-methanidyl-2-methylhexane (CID 91131818) is 2-methanidyl-2-methylhexane.
What is the SMILES notation for 2-methanidyl-2-methylhexane?
The canonical SMILES for 2-methanidyl-2-methylhexane is [CH2-]C(C)(C)CCCC.
What is the InChIKey of 2-methanidyl-2-methylhexane?
The InChIKey is WBNMKNSQBBPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17/c1-5-6-7-8(2,3)4/h2,5-7H2,1,3-4H3/q-1.
What are the key properties of 2-methanidyl-2-methylhexane?
2-methanidyl-2-methylhexane has a molecular weight of 113.22 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanidyl-2-methylhexane is sourced from PubChem (CID 91131818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).