2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine

C8H14N2O — CID 154502684

IUPAC2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCOC1=C(N)C=CC(C)(N)C1
InChIInChI=1S/C8H14N2O/c1-8(10)4-3-6(9)7(5-8)11-2/h3-4H,5,9-10H2,1-2H3
InChIKeyRKTAGIDLOVRJOR-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.48
Rot. Bonds1

About 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine

2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine (PubChem CID 154502684) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
PubChem CID154502684
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine
SMILESCOC1=C(N)C=CC(C)(N)C1
InChIInChI=1S/C8H14N2O/c1-8(10)4-3-6(9)7(5-8)11-2/h3-4H,5,9-10H2,1-2H3
InChIKeyRKTAGIDLOVRJOR-UHFFFAOYSA-N
XLogP0.48
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxycyclohexa-1,5-dien-1-amine
CID 21659860
5-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 70314240
2-Methoxy-4-methylcyclohexa-1,5-dien-1-amine
CID 89001074
4-Methoxy-1-methylcyclohexa-3,5-diene-1,3-diamine
CID 117868407
ethane;(3Z)-4-methoxyhepta-1,3-dien-3-amine
CID 143329605
5-Methoxy-1-methylcyclohexa-2,4-dien-1-amine
CID 153834632
Ethane;2-methoxycyclohexa-1,5-dien-1-amine
CID 164861310
5-Methoxycyclohexa-2,4-diene-1,1,4-triamine
CID 175532426
(3Z)-4-methoxyhepta-1,3-dien-3-amine
CID 143329606

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
The IUPAC name of 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine (CID 154502684) is 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine is COC1=C(N)C=CC(C)(N)C1.
What is the InChIKey of 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
The InChIKey is RKTAGIDLOVRJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-8(10)4-3-6(9)7(5-8)11-2/h3-4H,5,9-10H2,1-2H3.
What are the key properties of 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine?
2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine has a molecular weight of 154.21 g/mol, XLogP of 0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methylcyclohexa-1,5-diene-1,4-diamine is sourced from PubChem (CID 154502684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).