4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline

C17H22N2 — CID 20709653

IUPAC4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1
InChIInChI=1S/C17H22N2/c1-17(2,3)16-11-8-14(12-18-16)13-6-9-15(10-7-13)19(4)5/h6-12H,1-5H3
InChIKeyCFEVNSIPUJLDHI-UHFFFAOYSA-N
MW254.38 g/mol
LogP4.11
Rot. Bonds2

About 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline

4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline (PubChem CID 20709653) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
PubChem CID20709653
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1
InChIInChI=1S/C17H22N2/c1-17(2,3)16-11-8-14(12-18-16)13-6-9-15(10-7-13)19(4)5/h6-12H,1-5H3
InChIKeyCFEVNSIPUJLDHI-UHFFFAOYSA-N
XLogP4.11
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline?
The IUPAC name of 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline (CID 20709653) is 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline is CN(C)c1ccc(-c2ccc(C(C)(C)C)nc2)cc1.
What is the InChIKey of 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline?
The InChIKey is CFEVNSIPUJLDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-17(2,3)16-11-8-14(12-18-16)13-6-9-15(10-7-13)19(4)5/h6-12H,1-5H3.
What are the key properties of 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline?
4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline has a molecular weight of 254.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline is sourced from PubChem (CID 20709653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).