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

C17H28N2 — CID 115208714

IUPAC4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCc1cc(C(C)(C)C)ccc1N(C)CC1CCNC1
InChIInChI=1S/C17H28N2/c1-13-10-15(17(2,3)4)6-7-16(13)19(5)12-14-8-9-18-11-14/h6-7,10,14,18H,8-9,11-12H2,1-5H3
InChIKeyMHCJXXNRXKXVEW-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.34
Rot. Bonds3

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

4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline (PubChem CID 115208714) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
PubChem CID115208714
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
SMILESCc1cc(C(C)(C)C)ccc1N(C)CC1CCNC1
InChIInChI=1S/C17H28N2/c1-13-10-15(17(2,3)4)6-7-16(13)19(5)12-14-8-9-18-11-14/h6-7,10,14,18H,8-9,11-12H2,1-5H3
InChIKeyMHCJXXNRXKXVEW-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-tert-butyl-2-methylphenyl)-N-methylpyrrolidin-3-amine
CID 115118753
3-[2-(4-tert-butyl-2-methylphenyl)ethyl]pyrrolidine
CID 116925484
2-methoxy-N-methyl-4-propan-2-yl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208694
2-methoxy-N,3,4,6-tetramethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208742
(3S)-3-[(2,4-ditert-butylphenoxy)methyl]pyrrolidine
CID 86320135
4-tert-butyl-2,6-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline
CID 115208583
methyl 2-[methyl(pyrrolidin-3-ylmethyl)amino]benzoate
CID 117028824
N,6-dimethyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164558
4-tert-butyl-1-(2-pyrrolidin-3-ylethyl)pyridin-2-one
CID 167762843
1-N-(4-tert-butyl-2-methylphenyl)-1-N,2-dimethylpropane-1,2-diamine
CID 115135802
5-tert-butyl-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 115209791
5-chloro-N-methyl-N-(pyrrolidin-3-ylmethyl)thiophen-2-amine
CID 115208661

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The IUPAC name of 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline (CID 115208714) is 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The canonical SMILES for 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline is Cc1cc(C(C)(C)C)ccc1N(C)CC1CCNC1.
What is the InChIKey of 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
The InChIKey is MHCJXXNRXKXVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-10-15(17(2,3)4)6-7-16(13)19(5)12-14-8-9-18-11-14/h6-7,10,14,18H,8-9,11-12H2,1-5H3.
What are the key properties of 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline?
4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline has a molecular weight of 260.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N,2-dimethyl-N-(pyrrolidin-3-ylmethyl)aniline is sourced from PubChem (CID 115208714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).