3-ethyl-3-pyrrolidin-1-yldecan-4-ol

C16H33NO — CID 79068138

IUPAC3-ethyl-3-pyrrolidin-1-yldecan-4-ol
SMILESCCCCCCC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H33NO/c1-4-7-8-9-12-15(18)16(5-2,6-3)17-13-10-11-14-17/h15,18H,4-14H2,1-3H3
InChIKeyKUUZCBHPFSNGFR-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.97
Rot. Bonds9

About 3-ethyl-3-pyrrolidin-1-yldecan-4-ol

3-ethyl-3-pyrrolidin-1-yldecan-4-ol (PubChem CID 79068138) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-ethyl-3-pyrrolidin-1-yldecan-4-ol.

Molecular Properties

Compound Name3-ethyl-3-pyrrolidin-1-yldecan-4-ol
PubChem CID79068138
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name3-ethyl-3-pyrrolidin-1-yldecan-4-ol
SMILESCCCCCCC(O)C(CC)(CC)N1CCCC1
InChIInChI=1S/C16H33NO/c1-4-7-8-9-12-15(18)16(5-2,6-3)17-13-10-11-14-17/h15,18H,4-14H2,1-3H3
InChIKeyKUUZCBHPFSNGFR-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.97
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

3-ethyl-3-pyrrolidin-1-ylnonan-4-amine
CID 79068146
5-ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
CID 79067574
3-ethyl-1-propoxy-3-pyrrolidin-1-ylpentan-2-ol
CID 79573999
3,3-diethyldecan-4-ol
CID 150278197
15,15-bis(1-hydroxytetradecyl)nonacosane-14,16-diol
CID 158728411
2-methyl-2-pyrrolidin-1-yldecan-3-amine
CID 79055709
3-methyldodecane-3,4-diol
CID 103448703
N,3-dimethyl-3-pyrrolidin-1-yltridecan-4-amine
CID 79059306
3-(dimethylamino)-3-methyltetradecan-4-ol
CID 79064165
decane;dodecane-1,1-diol
CID 162011285
tetradecane-1,1-diol;tridecane-1,1-diol
CID 87487679
nonacosane-1,1-diol
CID 23066924

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-pyrrolidin-1-yldecan-4-ol?
The IUPAC name of 3-ethyl-3-pyrrolidin-1-yldecan-4-ol (CID 79068138) is 3-ethyl-3-pyrrolidin-1-yldecan-4-ol.
What is the SMILES notation for 3-ethyl-3-pyrrolidin-1-yldecan-4-ol?
The canonical SMILES for 3-ethyl-3-pyrrolidin-1-yldecan-4-ol is CCCCCCC(O)C(CC)(CC)N1CCCC1.
What is the InChIKey of 3-ethyl-3-pyrrolidin-1-yldecan-4-ol?
The InChIKey is KUUZCBHPFSNGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-4-7-8-9-12-15(18)16(5-2,6-3)17-13-10-11-14-17/h15,18H,4-14H2,1-3H3.
What are the key properties of 3-ethyl-3-pyrrolidin-1-yldecan-4-ol?
3-ethyl-3-pyrrolidin-1-yldecan-4-ol has a molecular weight of 255.45 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-pyrrolidin-1-yldecan-4-ol is sourced from PubChem (CID 79068138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).