2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol

C15H29NO2 — CID 103024210

IUPAC2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCOC(C)(C)CCN1CCCC1C1CCCC1O
InChIInChI=1S/C15H29NO2/c1-15(2,18-3)9-11-16-10-5-7-13(16)12-6-4-8-14(12)17/h12-14,17H,4-11H2,1-3H3
InChIKeyYDLNIUQBRXINRH-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds5

About 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol

2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol (PubChem CID 103024210) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol
PubChem CID103024210
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol
SMILESCOC(C)(C)CCN1CCCC1C1CCCC1O
InChIInChI=1S/C15H29NO2/c1-15(2,18-3)9-11-16-10-5-7-13(16)12-6-4-8-14(12)17/h12-14,17H,4-11H2,1-3H3
InChIKeyYDLNIUQBRXINRH-UHFFFAOYSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The IUPAC name of 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol (CID 103024210) is 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol is COC(C)(C)CCN1CCCC1C1CCCC1O.
What is the InChIKey of 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol?
The InChIKey is YDLNIUQBRXINRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-15(2,18-3)9-11-16-10-5-7-13(16)12-6-4-8-14(12)17/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol?
2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-methoxy-3-methylbutyl)pyrrolidin-2-yl]cyclopentan-1-ol is sourced from PubChem (CID 103024210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).