(1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine

C13H21NO — CID 71040604

IUPAC(1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC(OC2CCCCC2)=C[C@@H]1N
InChIInChI=1S/C13H21NO/c1-10-7-8-12(9-13(10)14)15-11-5-3-2-4-6-11/h7-11,13H,2-6,14H2,1H3/t10?,13-/m0/s1
InChIKeyZPKZDUXEECFJAD-HQVZTVAUSA-N
MW207.32 g/mol
LogP2.75
Rot. Bonds2

About (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine

(1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine (PubChem CID 71040604) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine
PubChem CID71040604
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine
SMILESCC1C=CC(OC2CCCCC2)=C[C@@H]1N
InChIInChI=1S/C13H21NO/c1-10-7-8-12(9-13(10)14)15-11-5-3-2-4-6-11/h7-11,13H,2-6,14H2,1H3/t10?,13-/m0/s1
InChIKeyZPKZDUXEECFJAD-HQVZTVAUSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine (CID 71040604) is (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine is CC1C=CC(OC2CCCCC2)=C[C@@H]1N.
What is the InChIKey of (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is ZPKZDUXEECFJAD-HQVZTVAUSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-7-8-12(9-13(10)14)15-11-5-3-2-4-6-11/h7-11,13H,2-6,14H2,1H3/t10?,13-/m0/s1.
What are the key properties of (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine?
(1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-cyclohexyloxy-6-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 71040604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).