5,5-dimethylhexan-1-amine

C8H19N — CID 521948

IUPAC5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCCCN
InChIInChI=1S/C8H19N/c1-8(2,3)6-4-5-7-9/h4-7,9H2,1-3H3
InChIKeyGAHCNYHAKKGGHF-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.16
Rot. Bonds3

About 5,5-dimethylhexan-1-amine

5,5-dimethylhexan-1-amine (PubChem CID 521948) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 5,5-dimethylhexan-1-amine.

Molecular Properties

Compound Name5,5-dimethylhexan-1-amine
PubChem CID521948
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name5,5-dimethylhexan-1-amine
SMILESCC(C)(C)CCCCN
InChIInChI=1S/C8H19N/c1-8(2,3)6-4-5-7-9/h4-7,9H2,1-3H3
InChIKeyGAHCNYHAKKGGHF-UHFFFAOYSA-N
XLogP2.16
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexan-1-amine?
The IUPAC name of 5,5-dimethylhexan-1-amine (CID 521948) is 5,5-dimethylhexan-1-amine.
What is the SMILES notation for 5,5-dimethylhexan-1-amine?
The canonical SMILES for 5,5-dimethylhexan-1-amine is CC(C)(C)CCCCN.
What is the InChIKey of 5,5-dimethylhexan-1-amine?
The InChIKey is GAHCNYHAKKGGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-8(2,3)6-4-5-7-9/h4-7,9H2,1-3H3.
What are the key properties of 5,5-dimethylhexan-1-amine?
5,5-dimethylhexan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylhexan-1-amine is sourced from PubChem (CID 521948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).