(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine

C13H27N — CID 126694482

IUPAC(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
SMILESCCCCCC(C)CN1CCC[C@H]1C
InChIInChI=1S/C13H27N/c1-4-5-6-8-12(2)11-14-10-7-9-13(14)3/h12-13H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyRBFDTQZJOWAOTO-ZGTCLIOFSA-N
MW197.37 g/mol
LogP3.69
Rot. Bonds6

About (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine

(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine (PubChem CID 126694482) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
PubChem CID126694482
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine
SMILESCCCCCC(C)CN1CCC[C@H]1C
InChIInChI=1S/C13H27N/c1-4-5-6-8-12(2)11-14-10-7-9-13(14)3/h12-13H,4-11H2,1-3H3/t12?,13-/m1/s1
InChIKeyRBFDTQZJOWAOTO-ZGTCLIOFSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-7-(2-methylpyrrolidin-1-yl)heptan-2-amine
CID 65296489
1-butyl-2-methylpyrrolidine;hydrobromide
CID 174642317
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
7-methyl-1-(2-methylpentyl)-1,4-diazepane
CID 64871379
N-ethyl-1-(2-methylpyrrolidin-1-yl)pentan-2-amine
CID 62042499
2-methyl-1-pentylazepane
CID 134994557
1-[2-(bromomethyl)pentyl]-2-methylpiperidine
CID 65011001
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
3-methyl-1-(2-methylpentyl)piperidine-2-carboxylic acid
CID 107072437
2-methyl-1-(5-methyloct-7-enyl)piperidine
CID 123555943
diethyl 2-[4-(2-methylpyrrolidin-1-yl)butyl]propanedioate
CID 118595668
2-(2-methylpyrrolidin-1-yl)octan-1-amine
CID 60975076

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine?
The IUPAC name of (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine (CID 126694482) is (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine.
What is the SMILES notation for (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine?
The canonical SMILES for (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine is CCCCCC(C)CN1CCC[C@H]1C.
What is the InChIKey of (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine?
The InChIKey is RBFDTQZJOWAOTO-ZGTCLIOFSA-N. The full InChI is InChI=1S/C13H27N/c1-4-5-6-8-12(2)11-14-10-7-9-13(14)3/h12-13H,4-11H2,1-3H3/t12?,13-/m1/s1.
What are the key properties of (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine?
(2R)-2-methyl-1-(2-methylheptyl)pyrrolidine has a molecular weight of 197.37 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-1-(2-methylheptyl)pyrrolidine is sourced from PubChem (CID 126694482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).