4-tert-butyl-3-prop-2-enylcyclohexan-1-amine

C13H25N — CID 58661882

IUPAC4-tert-butyl-3-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(N)CCC1C(C)(C)C
InChIInChI=1S/C13H25N/c1-5-6-10-9-11(14)7-8-12(10)13(2,3)4/h5,10-12H,1,6-9,14H2,2-4H3
InChIKeyWVDLYQFWMYPMSR-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.35
Rot. Bonds2

About 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine

4-tert-butyl-3-prop-2-enylcyclohexan-1-amine (PubChem CID 58661882) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-3-prop-2-enylcyclohexan-1-amine
PubChem CID58661882
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name4-tert-butyl-3-prop-2-enylcyclohexan-1-amine
SMILESC=CCC1CC(N)CCC1C(C)(C)C
InChIInChI=1S/C13H25N/c1-5-6-10-9-11(14)7-8-12(10)13(2,3)4/h5,10-12H,1,6-9,14H2,2-4H3
InChIKeyWVDLYQFWMYPMSR-UHFFFAOYSA-N
XLogP3.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.35
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 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine (CID 58661882) is 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine is C=CCC1CC(N)CCC1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine?
The InChIKey is WVDLYQFWMYPMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-5-6-10-9-11(14)7-8-12(10)13(2,3)4/h5,10-12H,1,6-9,14H2,2-4H3.
What are the key properties of 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine?
4-tert-butyl-3-prop-2-enylcyclohexan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 58661882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).