2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride

C14H28ClN — CID 22630131

IUPAC2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride
SMILESC=CC1(CCN)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C14H27N.ClH/c1-6-14(7-8-15)10-12(2,3)9-13(4,5)11-14;/h6H,1,7-11,15H2,2-5H3;1H
InChIKeyYZNKCRQDXJOTEY-UHFFFAOYSA-N
MW245.84 g/mol
LogP4.17
Rot. Bonds3

About 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride

2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride (PubChem CID 22630131) has the molecular formula C14H28ClN and a molecular weight of 245.84 g/mol. Its IUPAC name is 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride
PubChem CID22630131
Molecular FormulaC14H28ClN
Molecular Weight245.84 g/mol
Exact Mass245.19
IUPAC Name2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride
SMILESC=CC1(CCN)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C14H27N.ClH/c1-6-14(7-8-15)10-12(2,3)9-13(4,5)11-14;/h6H,1,7-11,15H2,2-5H3;1H
InChIKeyYZNKCRQDXJOTEY-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.84
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride?
The IUPAC name of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride (CID 22630131) is 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride is C=CC1(CCN)CC(C)(C)CC(C)(C)C1.Cl.
What is the InChIKey of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride?
The InChIKey is YZNKCRQDXJOTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N.ClH/c1-6-14(7-8-15)10-12(2,3)9-13(4,5)11-14;/h6H,1,7-11,15H2,2-5H3;1H.
What are the key properties of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride?
2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride has a molecular weight of 245.84 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine;hydrochloride is sourced from PubChem (CID 22630131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).