(1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine

C9H15NO — CID 167140885

IUPAC(1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCN[C@H]1C=C(C)C=C(OC)C1
InChIInChI=1S/C9H15NO/c1-7-4-8(10-2)6-9(5-7)11-3/h4-5,8,10H,6H2,1-3H3/t8-/m0/s1
InChIKeyBIBUUOYRFSSIFX-QMMMGPOBSA-N
MW153.22 g/mol
LogP1.45
Rot. Bonds2

About (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine

(1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 167140885) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID167140885
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCN[C@H]1C=C(C)C=C(OC)C1
InChIInChI=1S/C9H15NO/c1-7-4-8(10-2)6-9(5-7)11-3/h4-5,8,10H,6H2,1-3H3/t8-/m0/s1
InChIKeyBIBUUOYRFSSIFX-QMMMGPOBSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine (CID 167140885) is (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine is CN[C@H]1C=C(C)C=C(OC)C1.
What is the InChIKey of (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is BIBUUOYRFSSIFX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO/c1-7-4-8(10-2)6-9(5-7)11-3/h4-5,8,10H,6H2,1-3H3/t8-/m0/s1.
What are the key properties of (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine?
(1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 153.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methoxy-N,3-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 167140885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).