(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine

C11H23N — CID 174007558

IUPAC(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine
SMILESCCNC1C(C)CCC(C)[C@H]1C
InChIInChI=1S/C11H23N/c1-5-12-11-9(3)7-6-8(2)10(11)4/h8-12H,5-7H2,1-4H3/t8?,9?,10-,11?/m1/s1
InChIKeyJOWBUJISPRBKFJ-VEKQPKGLSA-N
MW169.31 g/mol
LogP2.67
Rot. Bonds2

About (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine

(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine (PubChem CID 174007558) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine
PubChem CID174007558
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine
SMILESCCNC1C(C)CCC(C)[C@H]1C
InChIInChI=1S/C11H23N/c1-5-12-11-9(3)7-6-8(2)10(11)4/h8-12H,5-7H2,1-4H3/t8?,9?,10-,11?/m1/s1
InChIKeyJOWBUJISPRBKFJ-VEKQPKGLSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine?
The IUPAC name of (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine (CID 174007558) is (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine.
What is the SMILES notation for (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine?
The canonical SMILES for (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine is CCNC1C(C)CCC(C)[C@H]1C.
What is the InChIKey of (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine?
The InChIKey is JOWBUJISPRBKFJ-VEKQPKGLSA-N. The full InChI is InChI=1S/C11H23N/c1-5-12-11-9(3)7-6-8(2)10(11)4/h8-12H,5-7H2,1-4H3/t8?,9?,10-,11?/m1/s1.
What are the key properties of (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine?
(2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine has a molecular weight of 169.31 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2,3,6-trimethylcyclohexan-1-amine is sourced from PubChem (CID 174007558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).