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

C12H25NO — CID 62466907

IUPAC3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)CCN1CCCC1CCCO
InChIInChI=1S/C12H25NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyRHFROAXCMKVSNB-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.27
Rot. Bonds6

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

3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 62466907) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol
PubChem CID62466907
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol
SMILESCC(C)CCN1CCCC1CCCO
InChIInChI=1S/C12H25NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h11-12,14H,3-10H2,1-2H3
InChIKeyRHFROAXCMKVSNB-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol (CID 62466907) is 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol is CC(C)CCN1CCCC1CCCO.
What is the InChIKey of 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is RHFROAXCMKVSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-11(2)7-9-13-8-3-5-12(13)6-4-10-14/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-methylbutyl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 62466907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).