1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine

C8H14N2O — CID 69347081

IUPAC1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCOCC1(N)C=CC=CC1N
InChIInChI=1S/C8H14N2O/c1-11-6-8(10)5-3-2-4-7(8)9/h2-5,7H,6,9-10H2,1H3
InChIKeySWVLPOZYCYVHME-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.22
Rot. Bonds2

About 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine

1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 69347081) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID69347081
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCOCC1(N)C=CC=CC1N
InChIInChI=1S/C8H14N2O/c1-11-6-8(10)5-3-2-4-7(8)9/h2-5,7H,6,9-10H2,1H3
InChIKeySWVLPOZYCYVHME-UHFFFAOYSA-N
XLogP-0.22
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine (CID 69347081) is 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine is COCC1(N)C=CC=CC1N.
What is the InChIKey of 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is SWVLPOZYCYVHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-11-6-8(10)5-3-2-4-7(8)9/h2-5,7H,6,9-10H2,1H3.
What are the key properties of 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine?
1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 154.21 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxymethyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 69347081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).