2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine

C13H27NO — CID 62480662

IUPAC2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine
SMILESCC(C)CC(C)OCCCC1CCCN1
InChIInChI=1S/C13H27NO/c1-11(2)10-12(3)15-9-5-7-13-6-4-8-14-13/h11-14H,4-10H2,1-3H3
InChIKeyDVMCDBICYVACJE-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.97
Rot. Bonds7

About 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine

2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine (PubChem CID 62480662) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine
PubChem CID62480662
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine
SMILESCC(C)CC(C)OCCCC1CCCN1
InChIInChI=1S/C13H27NO/c1-11(2)10-12(3)15-9-5-7-13-6-4-8-14-13/h11-14H,4-10H2,1-3H3
InChIKeyDVMCDBICYVACJE-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-propan-2-yloxypropyl)pyrrolidine
CID 134397939
(2S)-2-(4-methylpentan-2-yloxymethyl)pyrrolidine
CID 102819966
3-(4-methylpentan-2-yloxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119514198
(2S)-2-(3-methoxypropyl)piperidine
CID 40729361
(2R)-2-[3-[(1R)-1-(furan-2-yl)ethoxy]propyl]piperidine
CID 97162570
N-methyl-N-(2-propan-2-yloxyethyl)-3-pyrrolidin-2-ylpropan-1-amine
CID 81056390
2-[3-[1-(furan-2-yl)ethoxy]propyl]piperidine;hydrochloride
CID 71638045
(2S)-2-(2-propan-2-yloxyethyl)piperidine
CID 28802472
2-[1-(2-pyrrolidin-2-ylethoxy)ethyl]pyrrolidine
CID 118611329
2-[3-(1-thiophen-2-ylethoxy)propyl]piperidine;hydrochloride
CID 71638047
(2S)-2-(3-methylbutyl)piperidine
CID 94379266
(2S)-2-hexylpyrrolidine
CID 7047826

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine?
The IUPAC name of 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine (CID 62480662) is 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine.
What is the SMILES notation for 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine?
The canonical SMILES for 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine is CC(C)CC(C)OCCCC1CCCN1.
What is the InChIKey of 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine?
The InChIKey is DVMCDBICYVACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)10-12(3)15-9-5-7-13-6-4-8-14-13/h11-14H,4-10H2,1-3H3.
What are the key properties of 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine?
2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine has a molecular weight of 213.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylpentan-2-yloxy)propyl]pyrrolidine is sourced from PubChem (CID 62480662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).