(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine

C13H23N — CID 134996456

IUPAC(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
SMILESCC1=C(N2[C@H](C)CC[C@H]2C)CCCC1
InChIInChI=1S/C13H23N/c1-10-6-4-5-7-13(10)14-11(2)8-9-12(14)3/h11-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyGLPNDMOEHCWOJQ-VXGBXAGGSA-N
MW193.33 g/mol
LogP3.71
Rot. Bonds1

About (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine

(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine (PubChem CID 134996456) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine.

Molecular Properties

Compound Name(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
PubChem CID134996456
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine
SMILESCC1=C(N2[C@H](C)CC[C@H]2C)CCCC1
InChIInChI=1S/C13H23N/c1-10-6-4-5-7-13(10)14-11(2)8-9-12(14)3/h11-12H,4-9H2,1-3H3/t11-,12-/m1/s1
InChIKeyGLPNDMOEHCWOJQ-VXGBXAGGSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
1-methyl-4-(1-methylpyrrolidin-2-yl)-3,6-dihydro-2H-pyridine
CID 44376874
Pyrrolidine, 1-(2-methyl-1-cyclohexen-1-yl)-
CID 12218076
4-fluoro-1,2,5,6-tetramethyl-3,4-dihydro-2H-pyridine
CID 167142420
(5S)-2-fluoro-8-methyl-8-azabicyclo[3.2.1]oct-1-ene
CID 175702768
1-(2-Methylcyclohexen-1-yl)piperidine
CID 13184314
(2R,5R)-1-(cyclohexen-1-yl)-2,5-dimethylpyrrolidine
CID 13541757
N,N,2-trimethylcyclohexen-1-amine
CID 21720599
(2R)-1-(cyclohexen-1-yl)-2-methylpyrrolidine
CID 92197461
1-(2,6-Dimethylcyclohexen-1-yl)pyrrolidine
CID 100947708
(3aS,9aR)-5-methyl-1,2,3,3a,4,6,7,8,9,9a-decahydropyrrolo[1,2-a]quinoline
CID 102221641
Jodtropen
CID 129890515

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine?
The IUPAC name of (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine (CID 134996456) is (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine.
What is the SMILES notation for (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine?
The canonical SMILES for (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine is CC1=C(N2[C@H](C)CC[C@H]2C)CCCC1.
What is the InChIKey of (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine?
The InChIKey is GLPNDMOEHCWOJQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H23N/c1-10-6-4-5-7-13(10)14-11(2)8-9-12(14)3/h11-12H,4-9H2,1-3H3/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine?
(2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2,5-dimethyl-1-(2-methylcyclohexen-1-yl)pyrrolidine is sourced from PubChem (CID 134996456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).