(4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine

C8H12N2O — CID 69005073

IUPAC(4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
SMILESCO/C=C1/C=CC(N)=CC1N
InChIInChI=1S/C8H12N2O/c1-11-5-6-2-3-7(9)4-8(6)10/h2-5,8H,9-10H2,1H3/b6-5-
InChIKeyMCVNXVZGJQHRJZ-WAYWQWQTSA-N
MW152.20 g/mol
LogP0.26
Rot. Bonds1

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

(4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine (PubChem CID 69005073) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name(4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
PubChem CID69005073
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
SMILESCO/C=C1/C=CC(N)=CC1N
InChIInChI=1S/C8H12N2O/c1-11-5-6-2-3-7(9)4-8(6)10/h2-5,8H,9-10H2,1H3/b6-5-
InChIKeyMCVNXVZGJQHRJZ-WAYWQWQTSA-N
XLogP0.26
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

6-(Methoxymethylidene)cyclohexa-1,3-diene-1,3-diamine
CID 54361310
(4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
CID 69009771
4-(Butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
CID 69009774
4-(Methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
CID 69761109
1-(2-Methoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70325193
4-[(Z)-4-methoxybut-3-enyl]-2-methylcyclohexa-2,4-dien-1-amine
CID 89073727
(1R)-1-(6H-isochromen-7-yl)ethanamine
CID 123692723
(1E)-1-[(1E,3E)-4-aminohexa-1,3,5-trienoxy]hexa-1,5-dien-3-amine
CID 145013912
(4Z)-4-(methoxymethylidene)-N-methylcyclohexa-1,5-dien-1-amine
CID 163978337
3-(Methoxymethyl)cyclohexa-1,5-diene-1,4-diamine
CID 167122922
(2E,4Z)-2-[(E)-3,3-dimethylbut-1-enyl]-5-methoxy-3-methylpenta-2,4-diene-1,4-diamine
CID 169608369
4-(3,4-dihydro-2H-pyran-5-yl)but-3-en-2-amine
CID 165663018

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine (CID 69005073) is (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine is CO/C=C1/C=CC(N)=CC1N.
What is the InChIKey of (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
The InChIKey is MCVNXVZGJQHRJZ-WAYWQWQTSA-N. The full InChI is InChI=1S/C8H12N2O/c1-11-5-6-2-3-7(9)4-8(6)10/h2-5,8H,9-10H2,1H3/b6-5-.
What are the key properties of (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
(4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine has a molecular weight of 152.20 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(methoxymethylidene)cyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 69005073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).