2-[amino(tert-butyl)amino]-5-methylaniline

C11H19N3 — CID 134239306

IUPAC2-[amino(tert-butyl)amino]-5-methylaniline
SMILESCc1ccc(N(N)C(C)(C)C)c(N)c1
InChIInChI=1S/C11H19N3/c1-8-5-6-10(9(12)7-8)14(13)11(2,3)4/h5-7H,12-13H2,1-4H3
InChIKeyXGSAIMNEFFDSJQ-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.06
Rot. Bonds1

About 2-[amino(tert-butyl)amino]-5-methylaniline

2-[amino(tert-butyl)amino]-5-methylaniline (PubChem CID 134239306) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[amino(tert-butyl)amino]-5-methylaniline.

Molecular Properties

Compound Name2-[amino(tert-butyl)amino]-5-methylaniline
PubChem CID134239306
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name2-[amino(tert-butyl)amino]-5-methylaniline
SMILESCc1ccc(N(N)C(C)(C)C)c(N)c1
InChIInChI=1S/C11H19N3/c1-8-5-6-10(9(12)7-8)14(13)11(2,3)4/h5-7H,12-13H2,1-4H3
InChIKeyXGSAIMNEFFDSJQ-UHFFFAOYSA-N
XLogP2.06
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(3,5-dimethylphenyl)-1-N,4-dimethylbenzene-1,2-diamine
CID 62003537
methane;4-methyl-1-N,1-N-dipropylbenzene-1,2-diamine
CID 144540155
1-N,4-dimethyl-1-N-(2,3,4-trimethylphenyl)benzene-1,2-diamine
CID 115125026
4-methyl-1-N,1-N-bis(prop-2-enyl)benzene-1,2-diamine
CID 56831517
2-[amino(methyl)amino]-4-methylaniline
CID 130196475
1-N,4-dimethyl-1-N-(2-methylsulfanylethyl)benzene-1,2-diamine
CID 112656745
4-methyl-1-N,1-N-dioctylbenzene-1,2-diamine
CID 155149115
1-N-ethyl-4-methyl-1-N-[(2-methylphenyl)methyl]benzene-1,2-diamine
CID 43587740
2-amino-4,7-dimethylcyclohepta-2,4,6-trien-1-one
CID 55289737
2-[amino(propan-2-yl)amino]-4-methylaniline
CID 135202562
3-(2-amino-N,4-dimethylanilino)butanenitrile
CID 63225776
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-1-N,4-dimethylbenzene-1,2-diamine
CID 105414177

Frequently Asked Questions

What is the IUPAC name of 2-[amino(tert-butyl)amino]-5-methylaniline?
The IUPAC name of 2-[amino(tert-butyl)amino]-5-methylaniline (CID 134239306) is 2-[amino(tert-butyl)amino]-5-methylaniline.
What is the SMILES notation for 2-[amino(tert-butyl)amino]-5-methylaniline?
The canonical SMILES for 2-[amino(tert-butyl)amino]-5-methylaniline is Cc1ccc(N(N)C(C)(C)C)c(N)c1.
What is the InChIKey of 2-[amino(tert-butyl)amino]-5-methylaniline?
The InChIKey is XGSAIMNEFFDSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-8-5-6-10(9(12)7-8)14(13)11(2,3)4/h5-7H,12-13H2,1-4H3.
What are the key properties of 2-[amino(tert-butyl)amino]-5-methylaniline?
2-[amino(tert-butyl)amino]-5-methylaniline has a molecular weight of 193.29 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(tert-butyl)amino]-5-methylaniline is sourced from PubChem (CID 134239306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).