1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine

C17H28N2 — CID 117022687

IUPAC1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccccc2C(C)(C)C)C1C
InChIInChI=1S/C17H28N2/c1-13-14(12-18-5)10-11-19(13)16-9-7-6-8-15(16)17(2,3)4/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyNGZVBFOPKJWSED-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds3

About 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine

1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 117022687) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine
PubChem CID117022687
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(c2ccccc2C(C)(C)C)C1C
InChIInChI=1S/C17H28N2/c1-13-14(12-18-5)10-11-19(13)16-9-7-6-8-15(16)17(2,3)4/h6-9,13-14,18H,10-12H2,1-5H3
InChIKeyNGZVBFOPKJWSED-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine (CID 117022687) is 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(c2ccccc2C(C)(C)C)C1C.
What is the InChIKey of 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is NGZVBFOPKJWSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-14(12-18-5)10-11-19(13)16-9-7-6-8-15(16)17(2,3)4/h6-9,13-14,18H,10-12H2,1-5H3.
What are the key properties of 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine?
1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-tert-butylphenyl)-2-methylpyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 117022687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).