N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine

C8H14N4 — CID 143513033

IUPACN'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine
SMILESNCCN(N)/N=C1/C=CC=CC1
InChIInChI=1S/C8H14N4/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-4H,5-7,9-10H2/b11-8-
InChIKeyXYHWPTRFVUYZJV-FLIBITNWSA-N
MW166.23 g/mol
LogP-0.01
Rot. Bonds3

About N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine

N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine (PubChem CID 143513033) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine
PubChem CID143513033
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine
SMILESNCCN(N)/N=C1/C=CC=CC1
InChIInChI=1S/C8H14N4/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-4H,5-7,9-10H2/b11-8-
InChIKeyXYHWPTRFVUYZJV-FLIBITNWSA-N
XLogP-0.01
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine?
The IUPAC name of N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine (CID 143513033) is N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine.
What is the SMILES notation for N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine?
The canonical SMILES for N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine is NCCN(N)/N=C1/C=CC=CC1.
What is the InChIKey of N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine?
The InChIKey is XYHWPTRFVUYZJV-FLIBITNWSA-N. The full InChI is InChI=1S/C8H14N4/c9-6-7-12(10)11-8-4-2-1-3-5-8/h1-4H,5-7,9-10H2/b11-8-.
What are the key properties of N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine?
N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine has a molecular weight of 166.23 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-N'-[(E)-cyclohexa-2,4-dien-1-ylideneamino]ethane-1,2-diamine is sourced from PubChem (CID 143513033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).