4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline

C12H21N3 — CID 115260561

IUPAC4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
SMILESCN(CNN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-5-7-11(8-6-10)15(4)9-14-13/h5-8,14H,9,13H2,1-4H3
InChIKeyOABGNODQFTWOPP-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.84
Rot. Bonds3

About 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline

4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline (PubChem CID 115260561) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline.

Molecular Properties

Compound Name4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
PubChem CID115260561
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline
SMILESCN(CNN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C12H21N3/c1-12(2,3)10-5-7-11(8-6-10)15(4)9-14-13/h5-8,14H,9,13H2,1-4H3
InChIKeyOABGNODQFTWOPP-UHFFFAOYSA-N
XLogP1.84
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethylsulfanyl-N-(hydrazinylmethyl)-N-methylaniline
CID 115260655
2-(4-tert-butyl-N-methylanilino)acetaldehyde
CID 115222720
N-[(3-aminocyclobutyl)methyl]-4-tert-butyl-N-methylaniline
CID 115213893
2-(4-tert-butyl-N-methylanilino)-N-methylacetamide
CID 60562398
3-(4-tert-butyl-N-methylanilino)propan-1-ol
CID 94258791
3-(4-tert-butyl-N-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135181
1-N-(4-tert-butylphenyl)-1-N-methylpentane-1,4-diamine
CID 115203665
N-[[1-(aminomethyl)cyclopropyl]methyl]-4-tert-butyl-N-methylaniline
CID 115243941
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115260667
N-(hydrazinylmethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-amine
CID 115260679
4-tert-butyl-N,N-diethylaniline
CID 10632068
N-(4-tert-butylphenoxy)methanamine
CID 170041711

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline?
The IUPAC name of 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline (CID 115260561) is 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline.
What is the SMILES notation for 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline?
The canonical SMILES for 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline is CN(CNN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline?
The InChIKey is OABGNODQFTWOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)10-5-7-11(8-6-10)15(4)9-14-13/h5-8,14H,9,13H2,1-4H3.
What are the key properties of 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline?
4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline has a molecular weight of 207.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(hydrazinylmethyl)-N-methylaniline is sourced from PubChem (CID 115260561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).