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

C11H24ClN — CID 22221546

IUPAC3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride
SMILESCCC1(C)CC(C)CC(C)(N)C1.Cl
InChIInChI=1S/C11H23N.ClH/c1-5-10(3)6-9(2)7-11(4,12)8-10;/h9H,5-8,12H2,1-4H3;1H
InChIKeyZJWIYLMQOVLILY-UHFFFAOYSA-N
MW205.77 g/mol
LogP3.36
Rot. Bonds1

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

3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride (PubChem CID 22221546) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride
PubChem CID22221546
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride
SMILESCCC1(C)CC(C)CC(C)(N)C1.Cl
InChIInChI=1S/C11H23N.ClH/c1-5-10(3)6-9(2)7-11(4,12)8-10;/h9H,5-8,12H2,1-4H3;1H
InChIKeyZJWIYLMQOVLILY-UHFFFAOYSA-N
XLogP3.36
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
The IUPAC name of 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride (CID 22221546) is 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride.
What is the SMILES notation for 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
The canonical SMILES for 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride is CCC1(C)CC(C)CC(C)(N)C1.Cl.
What is the InChIKey of 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
The InChIKey is ZJWIYLMQOVLILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.ClH/c1-5-10(3)6-9(2)7-11(4,12)8-10;/h9H,5-8,12H2,1-4H3;1H.
What are the key properties of 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride?
3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride has a molecular weight of 205.77 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,3,5-trimethylcyclohexan-1-amine;hydrochloride is sourced from PubChem (CID 22221546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).