(5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine

C12H23N — CID 134850244

IUPAC(5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/N1[C@H](C)CCC1(C)C
InChIInChI=1S/C12H23N/c1-10(2)7-9-13-11(3)6-8-12(13,4)5/h7,9-11H,6,8H2,1-5H3/b9-7+/t11-/m1/s1
InChIKeyAMNVZZJSXNUAFS-MXMFLMJRSA-N
MW181.32 g/mol
LogP3.42
Rot. Bonds2

About (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine

(5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine (PubChem CID 134850244) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine.

Molecular Properties

Compound Name(5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
PubChem CID134850244
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name(5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
SMILESCC(C)/C=C/N1[C@H](C)CCC1(C)C
InChIInChI=1S/C12H23N/c1-10(2)7-9-13-11(3)6-8-12(13,4)5/h7,9-11H,6,8H2,1-5H3/b9-7+/t11-/m1/s1
InChIKeyAMNVZZJSXNUAFS-MXMFLMJRSA-N
XLogP3.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-1-pentenyl-2-methylpyrrolidine
CID 129868752
1-(3-Fluoropropyl)-2-(2-methylpropyl)-2,3-dihydropyrrole
CID 170073250
(2R)-1-[(E)-hex-1-enyl]-2-methylpyrrolidine
CID 134843998
(2R,5R)-2,5-dimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 134850848
(2R)-2-methyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine
CID 134942574
(2R)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
CID 134958318
1,2-Bis(ethenyl)-2-methylpyrrolidine
CID 134972345
(2S)-1,2-bis(ethenyl)-2-methylpyrrolidine
CID 134972463
(2S)-1-[(E)-but-1-enyl]-2-methylpyrrolidine
CID 146165228
1,2-Di(propan-2-yl)-2,3-dihydropyrrole
CID 21063760
6-Tert-butyl-1-azabicyclo[2.2.1]hept-2-ene
CID 57758402
1,2-Dimethyl-2-prop-2-enylpyrrolidine
CID 58293407

Frequently Asked Questions

What is the IUPAC name of (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The IUPAC name of (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine (CID 134850244) is (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine.
What is the SMILES notation for (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The canonical SMILES for (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine is CC(C)/C=C/N1[C@H](C)CCC1(C)C.
What is the InChIKey of (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
The InChIKey is AMNVZZJSXNUAFS-MXMFLMJRSA-N. The full InChI is InChI=1S/C12H23N/c1-10(2)7-9-13-11(3)6-8-12(13,4)5/h7,9-11H,6,8H2,1-5H3/b9-7+/t11-/m1/s1.
What are the key properties of (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine?
(5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine has a molecular weight of 181.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2,2,5-trimethyl-1-[(E)-3-methylbut-1-enyl]pyrrolidine is sourced from PubChem (CID 134850244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).