trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine

C11H23N — CID 10822133

IUPACtrans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine
SMILESCC[C@@H]1CC(C)(C)C[C@@](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/t9-,11+/m1/s1
InChIKeyYENZSTRINXGOIJ-KOLCDFICSA-N
MW169.31 g/mol
LogP2.94
Rot. Bonds1

About trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine

trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine (PubChem CID 10822133) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine
PubChem CID10822133
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Nametrans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine
SMILESCC[C@@H]1CC(C)(C)C[C@@](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/t9-,11+/m1/s1
InChIKeyYENZSTRINXGOIJ-KOLCDFICSA-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 trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine (CID 10822133) is trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine is CC[C@@H]1CC(C)(C)C[C@@](C)(N)C1.
What is the InChIKey of trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
The InChIKey is YENZSTRINXGOIJ-KOLCDFICSA-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/t9-,11+/m1/s1.
What are the key properties of trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine?
trans-(1S,5R)-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 trans-(1S,5R)-5-ethyl-1,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 10822133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).