1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol

C18H33NO — CID 10636409

IUPAC1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33NO/c20-18(15-19-13-7-8-14-19,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h16-17,20H,1-15H2
InChIKeyMLNLMHHEANPZTF-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.97
Rot. Bonds4

About 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol

1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol (PubChem CID 10636409) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol.

Molecular Properties

Compound Name1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol
PubChem CID10636409
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol
SMILESOC(CN1CCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H33NO/c20-18(15-19-13-7-8-14-19,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h16-17,20H,1-15H2
InChIKeyMLNLMHHEANPZTF-UHFFFAOYSA-N
XLogP3.97
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol?
The IUPAC name of 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol (CID 10636409) is 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol.
What is the SMILES notation for 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol?
The canonical SMILES for 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol is OC(CN1CCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol?
The InChIKey is MLNLMHHEANPZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c20-18(15-19-13-7-8-14-19,16-9-3-1-4-10-16)17-11-5-2-6-12-17/h16-17,20H,1-15H2.
What are the key properties of 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol?
1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol has a molecular weight of 279.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-2-pyrrolidin-1-ylethanol is sourced from PubChem (CID 10636409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).