1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine

C17H28N2 — CID 77453260

IUPAC1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)12-19-11-10-16(13-19)18(4)5/h6-9,16H,10-13H2,1-5H3
InChIKeyNPRDXRWZAGGELQ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds3

About 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine

1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 77453260) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID77453260
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(Cc2ccc(C(C)(C)C)cc2)C1
InChIInChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)12-19-11-10-16(13-19)18(4)5/h6-9,16H,10-13H2,1-5H3
InChIKeyNPRDXRWZAGGELQ-UHFFFAOYSA-N
XLogP3.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzoic acid
CID 90269710
4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70755812
1-[(4-tert-butylphenyl)methyl]-N,N-diethylpiperidin-4-amine
CID 118683629
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]-N,N-dimethylpyrrolidin-3-amine
CID 59295698
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
N,N-dimethyl-1-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrrolidin-3-amine
CID 11695061
(3R)-N,N-dimethyl-1-[[4-(4-methylsulfonylphenyl)phenyl]methyl]pyrrolidin-3-amine
CID 11631823
1-[(3-amino-4-methylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63532635
3-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenol
CID 82980094
2-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]ethanol
CID 62355946
1-[(4-tert-butylphenyl)methyl]piperidine-3-carboxylic acid
CID 3997008
1-benzyl-N,N-dimethylazetidin-3-amine
CID 53414031

Frequently Asked Questions

What is the IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine (CID 77453260) is 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(Cc2ccc(C(C)(C)C)cc2)C1.
What is the InChIKey of 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is NPRDXRWZAGGELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-17(2,3)15-8-6-14(7-9-15)12-19-11-10-16(13-19)18(4)5/h6-9,16H,10-13H2,1-5H3.
What are the key properties of 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine?
1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-tert-butylphenyl)methyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 77453260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).