1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine

C16H26N2 — CID 117018123

IUPAC1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC(C)(C)c1ccccc1N1CC(N)CC1(C)C
InChIInChI=1S/C16H26N2/c1-15(2,3)13-8-6-7-9-14(13)18-11-12(17)10-16(18,4)5/h6-9,12H,10-11,17H2,1-5H3
InChIKeyFHKZKOCIPPTRJC-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.30
Rot. Bonds1

About 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine

1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine (PubChem CID 117018123) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
PubChem CID117018123
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine
SMILESCC(C)(C)c1ccccc1N1CC(N)CC1(C)C
InChIInChI=1S/C16H26N2/c1-15(2,3)13-8-6-7-9-14(13)18-11-12(17)10-16(18,4)5/h6-9,12H,10-11,17H2,1-5H3
InChIKeyFHKZKOCIPPTRJC-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-yl]methanamine
CID 117018770
1-(2-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018127
1-(2-fluorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018125
1-(2-tert-butylphenyl)-6,6-dimethylpiperidin-3-ol
CID 117020854
5,5-dimethyl-1-(2-propan-2-yloxyphenyl)pyrrolidin-3-amine
CID 117018146
1-(2-tert-butylphenyl)-2,2-dimethylpiperidin-3-amine
CID 117019215
1-(2-chlorophenyl)-6,6-dimethylpiperidin-3-amine
CID 117021020
2,2-dimethyl-1-(2-methylphenyl)piperidin-4-amine
CID 117020100
1-(2-chlorophenyl)-2,2-dimethylpiperidin-4-amine
CID 117020121
1-(3-chlorophenyl)-5,5-dimethylpyrrolidin-3-amine
CID 117018128
CID 175472927
CID 175472927
1-(2-tert-butylphenyl)aziridine-2-carbonitrile
CID 117009817

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine (CID 117018123) is 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine is CC(C)(C)c1ccccc1N1CC(N)CC1(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine?
The InChIKey is FHKZKOCIPPTRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-15(2,3)13-8-6-7-9-14(13)18-11-12(17)10-16(18,4)5/h6-9,12H,10-11,17H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine?
1-(2-tert-butylphenyl)-5,5-dimethylpyrrolidin-3-amine has a molecular weight of 246.40 g/mol, XLogP of 3.30, 1 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-amine is sourced from PubChem (CID 117018123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).