4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline

C18H32N2 — CID 63551530

IUPAC4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1cc(N(C)C(C)C(C)C)ccc1CNC(C)(C)C
InChIInChI=1S/C18H32N2/c1-13(2)15(4)20(8)17-10-9-16(14(3)11-17)12-19-18(5,6)7/h9-11,13,15,19H,12H2,1-8H3
InChIKeyKULZIVIIPPNPSD-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.36
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline

4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline (PubChem CID 63551530) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
PubChem CID63551530
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline
SMILESCc1cc(N(C)C(C)C(C)C)ccc1CNC(C)(C)C
InChIInChI=1S/C18H32N2/c1-13(2)15(4)20(8)17-10-9-16(14(3)11-17)12-19-18(5,6)7/h9-11,13,15,19H,12H2,1-8H3
InChIKeyKULZIVIIPPNPSD-UHFFFAOYSA-N
XLogP4.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline?
The IUPAC name of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline (CID 63551530) is 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline?
The canonical SMILES for 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline is Cc1cc(N(C)C(C)C(C)C)ccc1CNC(C)(C)C.
What is the InChIKey of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline?
The InChIKey is KULZIVIIPPNPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(2)15(4)20(8)17-10-9-16(14(3)11-17)12-19-18(5,6)7/h9-11,13,15,19H,12H2,1-8H3.
What are the key properties of 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline?
4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline has a molecular weight of 276.47 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-N,3-dimethyl-N-(3-methylbutan-2-yl)aniline is sourced from PubChem (CID 63551530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).