4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline

C17H28N2 — CID 115208583

IUPAC4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCc1cc(C(C)(C)C)cc(C)c1NCC1CCNC1
InChIInChI=1S/C17H28N2/c1-12-8-15(17(3,4)5)9-13(2)16(12)19-11-14-6-7-18-10-14/h8-9,14,18-19H,6-7,10-11H2,1-5H3
InChIKeyPKIRVQTVRCWGQR-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.62
Rot. Bonds3

About 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline

4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 115208583) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
PubChem CID115208583
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCc1cc(C(C)(C)C)cc(C)c1NCC1CCNC1
InChIInChI=1S/C17H28N2/c1-12-8-15(17(3,4)5)9-13(2)16(12)19-11-14-6-7-18-10-14/h8-9,14,18-19H,6-7,10-11H2,1-5H3
InChIKeyPKIRVQTVRCWGQR-UHFFFAOYSA-N
XLogP3.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208554
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563716
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
2-(3,4-dimethylphenyl)-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 115208960
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208714
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline (CID 115208583) is 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline is Cc1cc(C(C)(C)C)cc(C)c1NCC1CCNC1.
What is the InChIKey of 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is PKIRVQTVRCWGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12-8-15(17(3,4)5)9-13(2)16(12)19-11-14-6-7-18-10-14/h8-9,14,18-19H,6-7,10-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 115208583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).