5-ethyl-1,3,3-trimethylcyclohexan-1-amine

C11H23N — CID 10154228

IUPAC5-ethyl-1,3,3-trimethylcyclohexan-1-amine
SMILESCCC1CC(C)(C)CC(C)(N)C1
InChIInChI=1S/C11H23N/c1-5-9-6-10(2,3)8-11(4,12)7-9/h9H,5-8,12H2,1-4H3
InChIKeyYENZSTRINXGOIJ-UHFFFAOYSA-N
MW169.31 g/mol
LogP2.94
Rot. Bonds1

About 5-ethyl-1,3,3-trimethylcyclohexan-1-amine

5-ethyl-1,3,3-trimethylcyclohexan-1-amine (PubChem CID 10154228) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 5-ethyl-1,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name5-ethyl-1,3,3-trimethylcyclohexan-1-amine
PubChem CID10154228
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name5-ethyl-1,3,3-trimethylcyclohexan-1-amine
SMILESCCC1CC(C)(C)CC(C)(N)C1
InChIInChI=1S/C11H23N/c1-5-9-6-10(2,3)8-11(4,12)7-9/h9H,5-8,12H2,1-4H3
InChIKeyYENZSTRINXGOIJ-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 5-ethyl-1,3,3-trimethylcyclohexan-1-amine (CID 10154228) is 5-ethyl-1,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 5-ethyl-1,3,3-trimethylcyclohexan-1-amine is CCC1CC(C)(C)CC(C)(N)C1.
What is the InChIKey of 5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
The InChIKey is YENZSTRINXGOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N/c1-5-9-6-10(2,3)8-11(4,12)7-9/h9H,5-8,12H2,1-4H3.
What are the key properties of 5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
5-ethyl-1,3,3-trimethylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 10154228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).