3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine

C8H14N2O — CID 167122922

IUPAC3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCOCC1C=C(N)C=CC1N
InChIInChI=1S/C8H14N2O/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,6,8H,5,9-10H2,1H3
InChIKeyKAGVVJZJPJIYDY-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.01
Rot. Bonds2

About 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine

3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine (PubChem CID 167122922) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine
PubChem CID167122922
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine
SMILESCOCC1C=C(N)C=CC1N
InChIInChI=1S/C8H14N2O/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,6,8H,5,9-10H2,1H3
InChIKeyKAGVVJZJPJIYDY-UHFFFAOYSA-N
XLogP-0.01
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 ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine (CID 167122922) is 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine is COCC1C=C(N)C=CC1N.
What is the InChIKey of 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine?
The InChIKey is KAGVVJZJPJIYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4,6,8H,5,9-10H2,1H3.
What are the key properties of 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine?
3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine has a molecular weight of 154.21 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)cyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 167122922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).