5,5-dimethylhexan-1-amine;hydrochloride

C8H20ClN — CID 143616686

IUPAC5,5-dimethylhexan-1-amine;hydrochloride
SMILESCC(C)(C)CCCCN.Cl
InChIInChI=1S/C8H19N.ClH/c1-8(2,3)6-4-5-7-9;/h4-7,9H2,1-3H3;1H
InChIKeyRORXTJDIULSJCR-UHFFFAOYSA-N
MW165.71 g/mol
LogP2.58
Rot. Bonds3

About 5,5-dimethylhexan-1-amine;hydrochloride

5,5-dimethylhexan-1-amine;hydrochloride (PubChem CID 143616686) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is 5,5-dimethylhexan-1-amine;hydrochloride.

Molecular Properties

Compound Name5,5-dimethylhexan-1-amine;hydrochloride
PubChem CID143616686
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Name5,5-dimethylhexan-1-amine;hydrochloride
SMILESCC(C)(C)CCCCN.Cl
InChIInChI=1S/C8H19N.ClH/c1-8(2,3)6-4-5-7-9;/h4-7,9H2,1-3H3;1H
InChIKeyRORXTJDIULSJCR-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 52.58
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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Related Compounds

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CID 87103604
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CID 53249240
18,18-dimethylnonadecan-1-amine;hydrofluoride
CID 173042311
4,4-dimethylpentan-1-amine
CID 14454757
CID 160729242
CID 160729242
hexane-1,5,5-triamine
CID 23298659
3,3-dimethylbutan-1-amine;hydroiodide
CID 173144991
3,3-dimethylbutan-1-amine;hydrobromide
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11-methyldodecane-1,11-diamine;propane
CID 145179809
12,12-dimethyltridecan-1-amine;trimethyl(octadecanoyl)azanium;chloride;hydrochloride
CID 174430832
N-(5-aminopentyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520785
2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethanamine
CID 58409020

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylhexan-1-amine;hydrochloride?
The IUPAC name of 5,5-dimethylhexan-1-amine;hydrochloride (CID 143616686) is 5,5-dimethylhexan-1-amine;hydrochloride.
What is the SMILES notation for 5,5-dimethylhexan-1-amine;hydrochloride?
The canonical SMILES for 5,5-dimethylhexan-1-amine;hydrochloride is CC(C)(C)CCCCN.Cl.
What is the InChIKey of 5,5-dimethylhexan-1-amine;hydrochloride?
The InChIKey is RORXTJDIULSJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.ClH/c1-8(2,3)6-4-5-7-9;/h4-7,9H2,1-3H3;1H.
What are the key properties of 5,5-dimethylhexan-1-amine;hydrochloride?
5,5-dimethylhexan-1-amine;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 2.58, 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;hydrochloride is sourced from PubChem (CID 143616686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).