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

C15H24N2 — CID 115208055

IUPAC2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCc1cc(C)c(C)c(NCC2CCCN2)c1C
InChIInChI=1S/C15H24N2/c1-10-8-11(2)13(4)15(12(10)3)17-9-14-6-5-7-16-14/h8,14,16-17H,5-7,9H2,1-4H3
InChIKeyDDOHRMAVGPULQC-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.08
Rot. Bonds3

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

2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 115208055) 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-2-ylmethyl)aniline.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
PubChem CID115208055
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline
SMILESCc1cc(C)c(C)c(NCC2CCCN2)c1C
InChIInChI=1S/C15H24N2/c1-10-8-11(2)13(4)15(12(10)3)17-9-14-6-5-7-16-14/h8,14,16-17H,5-7,9H2,1-4H3
InChIKeyDDOHRMAVGPULQC-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,4,5-trimethylphenyl)methyl]pyrrolidine
CID 117292011
2,6-dimethyl-3-(pyrrolidin-2-ylmethylamino)phenol
CID 106637684
2,3,5,6-tetrafluoro-N-(pyrrolidin-2-ylmethyl)aniline
CID 107643785
2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106638659
5-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 107584778
2,4,6-trichloro-N-(piperidin-2-ylmethyl)aniline
CID 106633086
2,5-dimethyl-4-(piperidin-2-ylmethylamino)phenol
CID 106953789
2-chloro-6-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]pyrimidin-4-amine
CID 97162852
4,5-dimethoxy-2-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633371
4,6-dimethyl-N-(piperidin-2-ylmethyl)pyrimidin-2-amine;hydrochloride
CID 71638393
3-bromo-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106876097
(2R)-2-[(2,3,5-trimethylphenoxy)methyl]pyrrolidine
CID 102820009

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline (CID 115208055) is 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline is Cc1cc(C)c(C)c(NCC2CCCN2)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is DDOHRMAVGPULQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-10-8-11(2)13(4)15(12(10)3)17-9-14-6-5-7-16-14/h8,14,16-17H,5-7,9H2,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline?
2,3,5,6-tetramethyl-N-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 3.08, 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-2-ylmethyl)aniline is sourced from PubChem (CID 115208055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).