(4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine

C8H13NO — CID 121405445

IUPAC(4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine
SMILESCOC[C@H]1C=CC(N)=CC1
InChIInChI=1S/C8H13NO/c1-10-6-7-2-4-8(9)5-3-7/h2,4-5,7H,3,6,9H2,1H3/t7-/m0/s1
InChIKeyAAXZJUGFTXPLJD-ZETCQYMHSA-N
MW139.20 g/mol
LogP1.05
Rot. Bonds2

About (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine

(4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine (PubChem CID 121405445) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine
PubChem CID121405445
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine
SMILESCOC[C@H]1C=CC(N)=CC1
InChIInChI=1S/C8H13NO/c1-10-6-7-2-4-8(9)5-3-7/h2,4-5,7H,3,6,9H2,1H3/t7-/m0/s1
InChIKeyAAXZJUGFTXPLJD-ZETCQYMHSA-N
XLogP1.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine?
The IUPAC name of (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine (CID 121405445) is (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine is COC[C@H]1C=CC(N)=CC1.
What is the InChIKey of (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine?
The InChIKey is AAXZJUGFTXPLJD-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13NO/c1-10-6-7-2-4-8(9)5-3-7/h2,4-5,7H,3,6,9H2,1H3/t7-/m0/s1.
What are the key properties of (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine?
(4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine has a molecular weight of 139.20 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(methoxymethyl)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 121405445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).