4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine

C18H25N3 — CID 68543442

IUPAC4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
SMILESCN(C)C1=CCC(c2ccccc2C=NNC(C)(C)C)=C1
InChIInChI=1S/C18H25N3/c1-18(2,3)20-19-13-15-8-6-7-9-17(15)14-10-11-16(12-14)21(4)5/h6-9,11-13,20H,10H2,1-5H3
InChIKeyWEYVMXSGVISINX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.64
Rot. Bonds4

About 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine

4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine (PubChem CID 68543442) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine.

Molecular Properties

Compound Name4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
PubChem CID68543442
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
SMILESCN(C)C1=CCC(c2ccccc2C=NNC(C)(C)C)=C1
InChIInChI=1S/C18H25N3/c1-18(2,3)20-19-13-15-8-6-7-9-17(15)14-10-11-16(12-14)21(4)5/h6-9,11-13,20H,10H2,1-5H3
InChIKeyWEYVMXSGVISINX-UHFFFAOYSA-N
XLogP3.64
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The IUPAC name of 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine (CID 68543442) is 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine.
What is the SMILES notation for 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The canonical SMILES for 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine is CN(C)C1=CCC(c2ccccc2C=NNC(C)(C)C)=C1.
What is the InChIKey of 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
The InChIKey is WEYVMXSGVISINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)20-19-13-15-8-6-7-9-17(15)14-10-11-16(12-14)21(4)5/h6-9,11-13,20H,10H2,1-5H3.
What are the key properties of 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine?
4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine is sourced from PubChem (CID 68543442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).