1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

C16H26N2 — CID 106318622

IUPAC1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H26N2/c1-13-7-14(2)9-15(8-13)10-18-6-5-16(3,12-18)11-17-4/h7-9,17H,5-6,10-12H2,1-4H3
InChIKeyCSXPXJFEHOZAAS-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.73
Rot. Bonds4

About 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 106318622) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID106318622
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1(C)CCN(Cc2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H26N2/c1-13-7-14(2)9-15(8-13)10-18-6-5-16(3,12-18)11-17-4/h7-9,17H,5-6,10-12H2,1-4H3
InChIKeyCSXPXJFEHOZAAS-UHFFFAOYSA-N
XLogP2.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(3-chlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 114172884
1-[(3,5-dimethylphenyl)methyl]-N,4-dimethylpiperidin-4-amine
CID 113282864
1-[1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318678
1-[1-[(3-bromothiophen-2-yl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318690
N-methyl-1-[3-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]methanamine
CID 106318625
N-methyl-1-[3-methyl-1-(2-phenylethyl)pyrrolidin-3-yl]methanamine
CID 106318668
N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106318634
1-[1-(1-benzothiophen-3-ylmethyl)-3-methylpyrrolidin-3-yl]-N-methylmethanamine
CID 106318658
N-methyl-1-[3-methyl-1-(2-thiophen-3-ylethyl)pyrrolidin-3-yl]methanamine
CID 106318742
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
N-methyl-1-[3-methyl-1-(3-methylbutyl)pyrrolidin-3-yl]methanamine
CID 106318615
N,N-dimethyl-2-[3-methyl-3-(methylaminomethyl)pyrrolidin-1-yl]ethanamine
CID 106318786

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 106318622) is 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1(C)CCN(Cc2cc(C)cc(C)c2)C1.
What is the InChIKey of 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is CSXPXJFEHOZAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-7-14(2)9-15(8-13)10-18-6-5-16(3,12-18)11-17-4/h7-9,17H,5-6,10-12H2,1-4H3.
What are the key properties of 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 246.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 106318622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).