1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine

C18H36N2 — CID 138581018

IUPAC1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine
SMILESCC1C(CC(C)(C)N2CCC[C@@H]2C)CCN1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-14-9-8-11-19(14)18(6,7)13-16-10-12-20(15(16)2)17(3,4)5/h14-16H,8-13H2,1-7H3/t14-,15?,16?/m0/s1
InChIKeyZKQAPJBONGMXAS-FHERZECASA-N
MW280.50 g/mol
LogP4.15
Rot. Bonds3

About 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine

1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine (PubChem CID 138581018) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine
PubChem CID138581018
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC Name1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine
SMILESCC1C(CC(C)(C)N2CCC[C@@H]2C)CCN1C(C)(C)C
InChIInChI=1S/C18H36N2/c1-14-9-8-11-19(14)18(6,7)13-16-10-12-20(15(16)2)17(3,4)5/h14-16H,8-13H2,1-7H3/t14-,15?,16?/m0/s1
InChIKeyZKQAPJBONGMXAS-FHERZECASA-N
XLogP4.15
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine?
The IUPAC name of 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine (CID 138581018) is 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine is CC1C(CC(C)(C)N2CCC[C@@H]2C)CCN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine?
The InChIKey is ZKQAPJBONGMXAS-FHERZECASA-N. The full InChI is InChI=1S/C18H36N2/c1-14-9-8-11-19(14)18(6,7)13-16-10-12-20(15(16)2)17(3,4)5/h14-16H,8-13H2,1-7H3/t14-,15?,16?/m0/s1.
What are the key properties of 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine?
1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine has a molecular weight of 280.50 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methyl-3-[2-methyl-2-[(2S)-2-methylpyrrolidin-1-yl]propyl]pyrrolidine is sourced from PubChem (CID 138581018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).