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

C14H27N — CID 10214480

IUPAC2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine
SMILESC=CC1(CCN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-6-14(7-8-15)10-12(2,3)9-13(4,5)11-14/h6H,1,7-11,15H2,2-5H3
InChIKeySOVBKEKWKFLAFX-UHFFFAOYSA-N
MW209.38 g/mol
LogP3.74
Rot. Bonds3

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

2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine (PubChem CID 10214480) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine
PubChem CID10214480
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine
SMILESC=CC1(CCN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C14H27N/c1-6-14(7-8-15)10-12(2,3)9-13(4,5)11-14/h6H,1,7-11,15H2,2-5H3
InChIKeySOVBKEKWKFLAFX-UHFFFAOYSA-N
XLogP3.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.74
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?
The IUPAC name of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine (CID 10214480) is 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine is C=CC1(CCN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine?
The InChIKey is SOVBKEKWKFLAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-6-14(7-8-15)10-12(2,3)9-13(4,5)11-14/h6H,1,7-11,15H2,2-5H3.
What are the key properties of 2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine?
2-(1-ethenyl-3,3,5,5-tetramethylcyclohexyl)ethanamine has a molecular weight of 209.38 g/mol, XLogP of 3.74, 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 is sourced from PubChem (CID 10214480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).