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

C11H18N2O — CID 69009771

IUPAC(4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
SMILESCCCCO/C=C1/C=CC(N)=CC1N
InChIInChI=1S/C11H18N2O/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7-8,11H,2-3,6,12-13H2,1H3/b9-8-
InChIKeyDFRKHUNLYWWDBF-HJWRWDBZSA-N
MW194.28 g/mol
LogP1.43
Rot. Bonds4

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

(4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine (PubChem CID 69009771) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine.

Molecular Properties

Compound Name(4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
PubChem CID69009771
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine
SMILESCCCCO/C=C1/C=CC(N)=CC1N
InChIInChI=1S/C11H18N2O/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7-8,11H,2-3,6,12-13H2,1H3/b9-8-
InChIKeyDFRKHUNLYWWDBF-HJWRWDBZSA-N
XLogP1.43
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
The IUPAC name of (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine (CID 69009771) is (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine.
What is the SMILES notation for (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
The canonical SMILES for (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine is CCCCO/C=C1/C=CC(N)=CC1N.
What is the InChIKey of (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
The InChIKey is DFRKHUNLYWWDBF-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H18N2O/c1-2-3-6-14-8-9-4-5-10(12)7-11(9)13/h4-5,7-8,11H,2-3,6,12-13H2,1H3/b9-8-.
What are the key properties of (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine?
(4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-(butoxymethylidene)cyclohexa-1,5-diene-1,3-diamine is sourced from PubChem (CID 69009771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).