3-tert-butyl-5-ethylcyclohexan-1-amine

C12H25N — CID 154652337

IUPAC3-tert-butyl-5-ethylcyclohexan-1-amine
SMILESCCC1CC(N)CC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-5-9-6-10(12(2,3)4)8-11(13)7-9/h9-11H,5-8,13H2,1-4H3
InChIKeyPLHVJNJMVYNTNX-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds1

About 3-tert-butyl-5-ethylcyclohexan-1-amine

3-tert-butyl-5-ethylcyclohexan-1-amine (PubChem CID 154652337) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 3-tert-butyl-5-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name3-tert-butyl-5-ethylcyclohexan-1-amine
PubChem CID154652337
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name3-tert-butyl-5-ethylcyclohexan-1-amine
SMILESCCC1CC(N)CC(C(C)(C)C)C1
InChIInChI=1S/C12H25N/c1-5-9-6-10(12(2,3)4)8-11(13)7-9/h9-11H,5-8,13H2,1-4H3
InChIKeyPLHVJNJMVYNTNX-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-ethylcyclohexan-1-amine?
The IUPAC name of 3-tert-butyl-5-ethylcyclohexan-1-amine (CID 154652337) is 3-tert-butyl-5-ethylcyclohexan-1-amine.
What is the SMILES notation for 3-tert-butyl-5-ethylcyclohexan-1-amine?
The canonical SMILES for 3-tert-butyl-5-ethylcyclohexan-1-amine is CCC1CC(N)CC(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5-ethylcyclohexan-1-amine?
The InChIKey is PLHVJNJMVYNTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-5-9-6-10(12(2,3)4)8-11(13)7-9/h9-11H,5-8,13H2,1-4H3.
What are the key properties of 3-tert-butyl-5-ethylcyclohexan-1-amine?
3-tert-butyl-5-ethylcyclohexan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-ethylcyclohexan-1-amine is sourced from PubChem (CID 154652337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).