1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine

C15H28N2 — CID 167049747

IUPAC1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine
SMILESC=C(C1CCN(C(C)(C)C)C1)N1CCCC1C
InChIInChI=1S/C15H28N2/c1-12-7-6-9-17(12)13(2)14-8-10-16(11-14)15(3,4)5/h12,14H,2,6-11H2,1,3-5H3
InChIKeyIKIQUSQJCZABBZ-UHFFFAOYSA-N
MW236.40 g/mol
LogP3.10
Rot. Bonds2

About 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine

1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine (PubChem CID 167049747) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine
PubChem CID167049747
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine
SMILESC=C(C1CCN(C(C)(C)C)C1)N1CCCC1C
InChIInChI=1S/C15H28N2/c1-12-7-6-9-17(12)13(2)14-8-10-16(11-14)15(3,4)5/h12,14H,2,6-11H2,1,3-5H3
InChIKeyIKIQUSQJCZABBZ-UHFFFAOYSA-N
XLogP3.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-but-1-en-2-yl-2-methylpyrrolidine
CID 134863512
1-tert-butylpyrrolidine-3-carbothioamide
CID 172787377
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
1-(1-tert-butylpiperidin-4-yl)ethenamine
CID 142896318
N-methyl-1-[(2R)-2-methylpyrrolidin-1-yl]ethenamine
CID 166869708
1-tert-butylpiperidine-3-carboxamide
CID 59656300
(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
CID 67293974
1-(1-tert-butylazetidin-3-yl)-2-methylpyrrolidine
CID 166650515
2-methyl-1-[(2S)-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 89291831
1-[1-(1-tert-butylpyrrolidin-3-yl)ethenyl]-4-[4-(trifluoromethyl)phenyl]piperidine
CID 126749255
1-tert-butyl-N,N-dimethylpiperidine-3-carboxamide
CID 58877729

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine?
The IUPAC name of 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine (CID 167049747) is 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine.
What is the SMILES notation for 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine?
The canonical SMILES for 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine is C=C(C1CCN(C(C)(C)C)C1)N1CCCC1C.
What is the InChIKey of 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine?
The InChIKey is IKIQUSQJCZABBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-7-6-9-17(12)13(2)14-8-10-16(11-14)15(3,4)5/h12,14H,2,6-11H2,1,3-5H3.
What are the key properties of 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine?
1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine has a molecular weight of 236.40 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(2-methylpyrrolidin-1-yl)ethenyl]pyrrolidine is sourced from PubChem (CID 167049747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).