5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine

C18H25N3 — CID 141067018

IUPAC5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine
SMILESCN(C)C1=CC=CC1c1ccccc1C=NNC(C)(C)C
InChIInChI=1S/C18H25N3/c1-18(2,3)20-19-13-14-9-6-7-10-15(14)16-11-8-12-17(16)21(4)5/h6-13,16,20H,1-5H3
InChIKeyKGXUCYINWZTFRB-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.51
Rot. Bonds4

About 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine

5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine (PubChem CID 141067018) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine.

Molecular Properties

Compound Name5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine
PubChem CID141067018
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine
SMILESCN(C)C1=CC=CC1c1ccccc1C=NNC(C)(C)C
InChIInChI=1S/C18H25N3/c1-18(2,3)20-19-13-14-9-6-7-10-15(14)16-11-8-12-17(16)21(4)5/h6-13,16,20H,1-5H3
InChIKeyKGXUCYINWZTFRB-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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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Related Compounds

N-[[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]methylideneamino]cyclohexanamine
CID 141067325
2-methyl-N-[(E)-naphthalen-1-ylmethylideneamino]propan-2-amine
CID 22891976
[5-tert-butyl-2-[2-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]-phenylmethanone
CID 154426517
4-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,4-dien-1-amine
CID 68543442
2-methyl-N-[(2-nitrophenyl)methylideneamino]propan-2-amine;hydrochloride
CID 73242777
N-tert-butyl-1-[2-(2,4-dimethylcyclopenta-2,4-dien-1-yl)phenyl]methanimine
CID 154426356
4-[(tert-butylhydrazinylidene)methyl]benzene-1,2,3-triol
CID 2454893
2-(2-methylcyclopenta-2,4-dien-1-yl)benzaldehyde
CID 154426433
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylpropan-2-amine
CID 6901787
1,1,2,2,3,3,3-heptafluoro-N-[(E)-(2-methylphenyl)methylideneamino]propan-1-amine
CID 126044220
N-[[2-[3-(dimethylamino)cyclopenta-2,4-dien-1-yl]phenyl]methylideneamino]cyclohexanamine
CID 141067374
2-methyl-N-[2-[2-(2-methylcyclopenta-2,4-dien-1-yl)phenyl]propan-2-yl]propan-2-amine
CID 154499995

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine?
The IUPAC name of 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine (CID 141067018) is 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine.
What is the SMILES notation for 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine?
The canonical SMILES for 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine is CN(C)C1=CC=CC1c1ccccc1C=NNC(C)(C)C.
What is the InChIKey of 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine?
The InChIKey is KGXUCYINWZTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-18(2,3)20-19-13-14-9-6-7-10-15(14)16-11-8-12-17(16)21(4)5/h6-13,16,20H,1-5H3.
What are the key properties of 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine?
5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(tert-butylhydrazinylidene)methyl]phenyl]-N,N-dimethylcyclopenta-1,3-dien-1-amine is sourced from PubChem (CID 141067018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).