3-(2-ethylhexyl)pyrrolidin-3-ol

C12H25NO — CID 63587547

IUPAC3-(2-ethylhexyl)pyrrolidin-3-ol
SMILESCCCCC(CC)CC1(O)CCNC1
InChIInChI=1S/C12H25NO/c1-3-5-6-11(4-2)9-12(14)7-8-13-10-12/h11,13-14H,3-10H2,1-2H3
InChIKeyFOYYRKUUIWDPLM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds6

About 3-(2-ethylhexyl)pyrrolidin-3-ol

3-(2-ethylhexyl)pyrrolidin-3-ol (PubChem CID 63587547) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-(2-ethylhexyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(2-ethylhexyl)pyrrolidin-3-ol
PubChem CID63587547
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-(2-ethylhexyl)pyrrolidin-3-ol
SMILESCCCCC(CC)CC1(O)CCNC1
InChIInChI=1S/C12H25NO/c1-3-5-6-11(4-2)9-12(14)7-8-13-10-12/h11,13-14H,3-10H2,1-2H3
InChIKeyFOYYRKUUIWDPLM-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylhexyl)cycloheptan-1-ol
CID 63406622
1-(2-ethylhexyl)cyclohexan-1-ol
CID 63409044
1-(2-ethylhexyl)-4,4-dimethylcycloheptan-1-ol
CID 65085643
3-(2-ethylbutyl)azetidin-3-ol
CID 82929013
3-amino-1-(2-ethylhexyl)cyclobutan-1-ol
CID 80561259
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N,2-dimethylhexanamide
CID 114246107
3-(2-ethylhexyl)-3-phenylazetidine
CID 79451049
4-(2-ethylhexyl)-1-methylazepan-4-ol
CID 65075552
1-(2-ethylhexyl)cyclopropan-1-amine
CID 66024000
1-(2-ethylhexyl)-4-propylcycloheptan-1-ol
CID 65090653
3-(2-ethylhexyl)-5-methylthiolan-3-ol
CID 79950398
2-ethyl-2-(2-ethylhexyl)pyrrolidine
CID 66468510

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylhexyl)pyrrolidin-3-ol?
The IUPAC name of 3-(2-ethylhexyl)pyrrolidin-3-ol (CID 63587547) is 3-(2-ethylhexyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(2-ethylhexyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(2-ethylhexyl)pyrrolidin-3-ol is CCCCC(CC)CC1(O)CCNC1.
What is the InChIKey of 3-(2-ethylhexyl)pyrrolidin-3-ol?
The InChIKey is FOYYRKUUIWDPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-5-6-11(4-2)9-12(14)7-8-13-10-12/h11,13-14H,3-10H2,1-2H3.
What are the key properties of 3-(2-ethylhexyl)pyrrolidin-3-ol?
3-(2-ethylhexyl)pyrrolidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylhexyl)pyrrolidin-3-ol is sourced from PubChem (CID 63587547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).