2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline

C15H24N2 — CID 115208554

IUPAC2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCc1cc(C)c(C)c(NCC2CCNC2)c1C
InChIInChI=1S/C15H24N2/c1-10-7-11(2)13(4)15(12(10)3)17-9-14-5-6-16-8-14/h7,14,16-17H,5-6,8-9H2,1-4H3
InChIKeyBSGCZPSFRMDJQN-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.94
Rot. Bonds3

About 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline

2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 115208554) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
PubChem CID115208554
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCc1cc(C)c(C)c(NCC2CCNC2)c1C
InChIInChI=1S/C15H24N2/c1-10-7-11(2)13(4)15(12(10)3)17-9-14-5-6-16-8-14/h7,14,16-17H,5-6,8-9H2,1-4H3
InChIKeyBSGCZPSFRMDJQN-UHFFFAOYSA-N
XLogP2.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208583
2,3,4,5,6-pentafluoro-N-(pyrrolidin-3-ylmethyl)aniline
CID 80563716
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 115208055
5-bromo-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208623
4-(1,1-difluoroethyl)-2-methyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115047377
5-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-2-amine
CID 80563182
2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 80563958
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408
2,4,5-trimethyl-N-(pyrrolidin-3-ylmethyl)benzamide
CID 115271836
2,6-difluoro-3-methyl-N-(piperidin-3-ylmethyl)aniline
CID 82818461
2-chloro-6-methyl-N-(pyrrolidin-3-ylmethyl)pyrimidin-4-amine
CID 71638561
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline (CID 115208554) is 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline is Cc1cc(C)c(C)c(NCC2CCNC2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is BSGCZPSFRMDJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-7-11(2)13(4)15(12(10)3)17-9-14-5-6-16-8-14/h7,14,16-17H,5-6,8-9H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline?
2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 115208554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).