1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine

C17H28N2 — CID 63215904

IUPAC1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1cccc(C)c1)N1CCCC1(C)C
InChIInChI=1S/C17H28N2/c1-5-15(18)16(14-9-6-8-13(2)12-14)19-11-7-10-17(19,3)4/h6,8-9,12,15-16H,5,7,10-11,18H2,1-4H3
InChIKeyWCONGPZLOIDPHS-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.65
Rot. Bonds4

About 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine

1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine (PubChem CID 63215904) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
PubChem CID63215904
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine
SMILESCCC(N)C(c1cccc(C)c1)N1CCCC1(C)C
InChIInChI=1S/C17H28N2/c1-5-15(18)16(14-9-6-8-13(2)12-14)19-11-7-10-17(19,3)4/h6,8-9,12,15-16H,5,7,10-11,18H2,1-4H3
InChIKeyWCONGPZLOIDPHS-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-fluorophenyl)propan-2-amine
CID 63216311
1-[2-amino-1-(3-methylphenyl)butyl]pyrrolidine-3,4-diol
CID 106667892
1-(3-methylphenyl)-1-(2-propylpiperidin-1-yl)butan-2-amine
CID 83053219
1-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 62937541
1-(4,4-dimethylpiperidin-1-yl)-1-(3-fluorophenyl)butan-2-amine
CID 62935470
1-(3-methoxy-3-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-2-amine
CID 107390702
3-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-ol
CID 55162523
2-(3-bromophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63215857
2-(3-chlorophenyl)-2-(2,2-dimethylpyrrolidin-1-yl)ethanamine
CID 63216309
1-(3-bromophenyl)-1-(7,7-dimethyl-1,4-thiazepan-4-yl)butan-2-amine
CID 107453294
1-(3-fluorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55020193
4-amino-3-(3-methylphenyl)hexan-1-ol
CID 66091951

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine?
The IUPAC name of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine (CID 63215904) is 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine?
The canonical SMILES for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine is CCC(N)C(c1cccc(C)c1)N1CCCC1(C)C.
What is the InChIKey of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine?
The InChIKey is WCONGPZLOIDPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-5-15(18)16(14-9-6-8-13(2)12-14)19-11-7-10-17(19,3)4/h6,8-9,12,15-16H,5,7,10-11,18H2,1-4H3.
What are the key properties of 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine?
1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine has a molecular weight of 260.43 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpyrrolidin-1-yl)-1-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 63215904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).