3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride

C13H26ClN — CID 22630118

IUPAC3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride
SMILESC=CCC1(N)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C13H25N.ClH/c1-6-7-13(14)9-11(2,3)8-12(4,5)10-13;/h6H,1,7-10,14H2,2-5H3;1H
InChIKeyPKKGFPFYCVFPIL-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.92
Rot. Bonds2

About 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride

3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride (PubChem CID 22630118) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride
PubChem CID22630118
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride
SMILESC=CCC1(N)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C13H25N.ClH/c1-6-7-13(14)9-11(2,3)8-12(4,5)10-13;/h6H,1,7-10,14H2,2-5H3;1H
InChIKeyPKKGFPFYCVFPIL-UHFFFAOYSA-N
XLogP3.92
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.92
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 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride (CID 22630118) is 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride is C=CCC1(N)CC(C)(C)CC(C)(C)C1.Cl.
What is the InChIKey of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride?
The InChIKey is PKKGFPFYCVFPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N.ClH/c1-6-7-13(14)9-11(2,3)8-12(4,5)10-13;/h6H,1,7-10,14H2,2-5H3;1H.
What are the key properties of 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride?
3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride has a molecular weight of 231.81 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-prop-2-enylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 22630118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).