4-tert-butyl-1-N-methylbenzene-1,3-diamine

C11H18N2 — CID 130787957

IUPAC4-tert-butyl-1-N-methylbenzene-1,3-diamine
SMILESCNc1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C11H18N2/c1-11(2,3)9-6-5-8(13-4)7-10(9)12/h5-7,13H,12H2,1-4H3
InChIKeyCGPHIQLHQSVHCK-UHFFFAOYSA-N
MW178.28 g/mol
LogP2.61
Rot. Bonds1

About 4-tert-butyl-1-N-methylbenzene-1,3-diamine

4-tert-butyl-1-N-methylbenzene-1,3-diamine (PubChem CID 130787957) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 4-tert-butyl-1-N-methylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-tert-butyl-1-N-methylbenzene-1,3-diamine
PubChem CID130787957
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name4-tert-butyl-1-N-methylbenzene-1,3-diamine
SMILESCNc1ccc(C(C)(C)C)c(N)c1
InChIInChI=1S/C11H18N2/c1-11(2,3)9-6-5-8(13-4)7-10(9)12/h5-7,13H,12H2,1-4H3
InChIKeyCGPHIQLHQSVHCK-UHFFFAOYSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-3-isocyano-N-methylaniline
CID 153497146
2-amino-4-(methylamino)benzenethiol;ethane
CID 142272168
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-4-N-methylbenzene-1,2,4-triamine
CID 142297353
2-tert-butyl-5-(2,2-dimethylpropyl)aniline
CID 142239267
1-(3-amino-4-tert-butylphenyl)-N-methylmethanesulfonamide
CID 139784459
1-N-methyl-4-phenylbenzene-1,3-diamine
CID 68787466
3-amino-4-tert-butylbenzoic acid;hydrochloride
CID 119099217
2-tert-butylaniline
CID 159041627
[2-amino-5-(methylamino)phenyl]boronic acid
CID 68786537
4-bromo-6-tert-butylbenzene-1,3-diamine
CID 143986594
(3-amino-4-tert-butylphenyl) methyl carbonate
CID 131988205
1-N-[2-(2,5-dichlorophenyl)-2-methylpropyl]-4-N-methylbenzene-1,2,4-triamine
CID 134320071

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-N-methylbenzene-1,3-diamine?
The IUPAC name of 4-tert-butyl-1-N-methylbenzene-1,3-diamine (CID 130787957) is 4-tert-butyl-1-N-methylbenzene-1,3-diamine.
What is the SMILES notation for 4-tert-butyl-1-N-methylbenzene-1,3-diamine?
The canonical SMILES for 4-tert-butyl-1-N-methylbenzene-1,3-diamine is CNc1ccc(C(C)(C)C)c(N)c1.
What is the InChIKey of 4-tert-butyl-1-N-methylbenzene-1,3-diamine?
The InChIKey is CGPHIQLHQSVHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-11(2,3)9-6-5-8(13-4)7-10(9)12/h5-7,13H,12H2,1-4H3.
What are the key properties of 4-tert-butyl-1-N-methylbenzene-1,3-diamine?
4-tert-butyl-1-N-methylbenzene-1,3-diamine has a molecular weight of 178.28 g/mol, XLogP of 2.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-N-methylbenzene-1,3-diamine is sourced from PubChem (CID 130787957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).