5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine

C17H28N2 — CID 115145878

IUPAC5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCC(C)Cc1ccc(CNC2CNC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)9-14-5-7-15(8-6-14)11-18-16-10-17(3,4)19-12-16/h5-8,13,16,18-19H,9-12H2,1-4H3
InChIKeyXLIYWGQUBATIOX-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.12
Rot. Bonds5

About 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine

5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine (PubChem CID 115145878) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine
PubChem CID115145878
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine
SMILESCC(C)Cc1ccc(CNC2CNC(C)(C)C2)cc1
InChIInChI=1S/C17H28N2/c1-13(2)9-14-5-7-15(8-6-14)11-18-16-10-17(3,4)19-12-16/h5-8,13,16,18-19H,9-12H2,1-4H3
InChIKeyXLIYWGQUBATIOX-UHFFFAOYSA-N
XLogP3.12
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methoxy-3-methylphenyl)methyl]-5,5-dimethylpyrrolidin-3-amine
CID 115145867
5,5-dimethyl-N-[(1-methylbenzimidazol-5-yl)methyl]pyrrolidin-3-amine
CID 115145923
5,5-dimethyl-N-[(2,3,5,6-tetramethylphenyl)methyl]pyrrolidin-3-amine
CID 115145890
1-[4-(2-methylpropyl)phenyl]-N-[[4-(2-methylpropyl)phenyl]methyl]methanamine
CID 101376934
5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 115145902
2-cyclopropyl-N-[[4-(2-methylpropyl)phenyl]methyl]oxolan-3-amine
CID 103864424
N-[2-(3-bromo-4-methoxyphenyl)ethyl]-5,5-dimethylpyrrolidin-3-amine
CID 115146036
N-[[4-(difluoromethyl)phenyl]methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103965603
N-[(4-fluorophenyl)methyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112681857
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28674803
N-[(3-methoxy-4-methylsulfanylphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 119114792
2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclopropan-1-amine
CID 61222463

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine?
The IUPAC name of 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine (CID 115145878) is 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine.
What is the SMILES notation for 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine?
The canonical SMILES for 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine is CC(C)Cc1ccc(CNC2CNC(C)(C)C2)cc1.
What is the InChIKey of 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine?
The InChIKey is XLIYWGQUBATIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(2)9-14-5-7-15(8-6-14)11-18-16-10-17(3,4)19-12-16/h5-8,13,16,18-19H,9-12H2,1-4H3.
What are the key properties of 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine?
5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine has a molecular weight of 260.43 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-N-[[4-(2-methylpropyl)phenyl]methyl]pyrrolidin-3-amine is sourced from PubChem (CID 115145878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).