5-tert-butyl-N-methyl-2-propanimidoylaniline

C14H22N2 — CID 123530487

IUPAC5-tert-butyl-N-methyl-2-propanimidoylaniline
SMILES[H]/N=C(\CC)c1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C14H22N2/c1-6-12(15)11-8-7-10(14(2,3)4)9-13(11)16-5/h7-9,15-16H,6H2,1-5H3/b15-12+
InChIKeyLKCXIUGSLUDABV-NTCAYCPXSA-N
MW218.34 g/mol
LogP3.80
Rot. Bonds3

About 5-tert-butyl-N-methyl-2-propanimidoylaniline

5-tert-butyl-N-methyl-2-propanimidoylaniline (PubChem CID 123530487) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 5-tert-butyl-N-methyl-2-propanimidoylaniline.

Molecular Properties

Compound Name5-tert-butyl-N-methyl-2-propanimidoylaniline
PubChem CID123530487
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name5-tert-butyl-N-methyl-2-propanimidoylaniline
SMILES[H]/N=C(\CC)c1ccc(C(C)(C)C)cc1NC
InChIInChI=1S/C14H22N2/c1-6-12(15)11-8-7-10(14(2,3)4)9-13(11)16-5/h7-9,15-16H,6H2,1-5H3/b15-12+
InChIKeyLKCXIUGSLUDABV-NTCAYCPXSA-N
XLogP3.80
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-methyl-2-propanimidoylaniline?
The IUPAC name of 5-tert-butyl-N-methyl-2-propanimidoylaniline (CID 123530487) is 5-tert-butyl-N-methyl-2-propanimidoylaniline.
What is the SMILES notation for 5-tert-butyl-N-methyl-2-propanimidoylaniline?
The canonical SMILES for 5-tert-butyl-N-methyl-2-propanimidoylaniline is [H]/N=C(\CC)c1ccc(C(C)(C)C)cc1NC.
What is the InChIKey of 5-tert-butyl-N-methyl-2-propanimidoylaniline?
The InChIKey is LKCXIUGSLUDABV-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-12(15)11-8-7-10(14(2,3)4)9-13(11)16-5/h7-9,15-16H,6H2,1-5H3/b15-12+.
What are the key properties of 5-tert-butyl-N-methyl-2-propanimidoylaniline?
5-tert-butyl-N-methyl-2-propanimidoylaniline has a molecular weight of 218.34 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-methyl-2-propanimidoylaniline is sourced from PubChem (CID 123530487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).