[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

C17H28N2 — CID 117018770

IUPAC[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC(C)(C)c1ccccc1N1CC(CN)CC1(C)C
InChIInChI=1S/C17H28N2/c1-16(2,3)14-8-6-7-9-15(14)19-12-13(11-18)10-17(19,4)5/h6-9,13H,10-12,18H2,1-5H3
InChIKeyDOUYFACEWBFMDD-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.55
Rot. Bonds2

About [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine

[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (PubChem CID 117018770) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
PubChem CID117018770
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
SMILESCC(C)(C)c1ccccc1N1CC(CN)CC1(C)C
InChIInChI=1S/C17H28N2/c1-16(2,3)14-8-6-7-9-15(14)19-12-13(11-18)10-17(19,4)5/h6-9,13H,10-12,18H2,1-5H3
InChIKeyDOUYFACEWBFMDD-UHFFFAOYSA-N
XLogP3.55
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018123
1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020854
[1-(4-bromophenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018785
1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019215
[1-(2-ethoxyphenyl)-6,6-dimethylpiperidin-3-yl]methanamine
CID 117021543
[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]methanol
CID 117018867
2-[1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetonitrile
CID 117018622
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
2-[1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 117018480
2-[1-(2-cyanophenyl)-5,5-dimethylpyrrolidin-3-yl]acetic acid
CID 117018496
CID 175472927
CID 175472927

Frequently Asked Questions

What is the IUPAC name of [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine (CID 117018770) is [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is CC(C)(C)c1ccccc1N1CC(CN)CC1(C)C.
What is the InChIKey of [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
The InChIKey is DOUYFACEWBFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-16(2,3)14-8-6-7-9-15(14)19-12-13(11-18)10-17(19,4)5/h6-9,13H,10-12,18H2,1-5H3.
What are the key properties of [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine?
[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine has a molecular weight of 260.42 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117018770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).