[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine

C16H26N2 — CID 62068815

IUPAC[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(C)c(C(C)N2CCC(CN)C2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)14(4)18-6-5-15(9-17)10-18/h7-8,14-15H,5-6,9-10,17H2,1-4H3
InChIKeyWOJYXIOWOCMCFN-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.95
Rot. Bonds3

About [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine

[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine (PubChem CID 62068815) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine
PubChem CID62068815
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine
SMILESCc1cc(C)c(C(C)N2CCC(CN)C2)c(C)c1
InChIInChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)14(4)18-6-5-15(9-17)10-18/h7-8,14-15H,5-6,9-10,17H2,1-4H3
InChIKeyWOJYXIOWOCMCFN-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine (CID 62068815) is [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine is Cc1cc(C)c(C(C)N2CCC(CN)C2)c(C)c1.
What is the InChIKey of [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
The InChIKey is WOJYXIOWOCMCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-11-7-12(2)16(13(3)8-11)14(4)18-6-5-15(9-17)10-18/h7-8,14-15H,5-6,9-10,17H2,1-4H3.
What are the key properties of [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine?
[1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine has a molecular weight of 246.40 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2,4,6-trimethylphenyl)ethyl]pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62068815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).