2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol

C17H29NO — CID 114799708

IUPAC2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H29NO/c19-4-2-13-1-3-18(11-13)12-17-8-14-5-15(9-17)7-16(6-14)10-17/h13-16,19H,1-12H2
InChIKeyVNBUERGXOFJBLG-UHFFFAOYSA-N
MW263.42 g/mol
LogP2.91
Rot. Bonds4

About 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol

2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol (PubChem CID 114799708) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
PubChem CID114799708
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(CC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C17H29NO/c19-4-2-13-1-3-18(11-13)12-17-8-14-5-15(9-17)7-16(6-14)10-17/h13-16,19H,1-12H2
InChIKeyVNBUERGXOFJBLG-UHFFFAOYSA-N
XLogP2.91
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-adamantylmethyl)pyrrolidin-3-amine
CID 55029770
1-(1-adamantylmethyl)pyrrolidine-3-carboxylic acid
CID 63030675
(3R)-1-(1-adamantylmethyl)piperidin-3-amine
CID 102984699
1-[1-(1-adamantylmethyl)piperidin-4-yl]ethanol
CID 106837476
2-[1-(2-cyclopropylethyl)pyrrolidin-3-yl]ethanol
CID 115665613
1-(1-adamantylmethyl)azetidin-3-ol
CID 63282389
1-[[3-(2-hydroxyethyl)pyrrolidin-1-yl]methyl]cyclohexane-1-carbaldehyde
CID 114800018
2-[1-(1-adamantylmethyl)azetidin-3-yl]acetic acid
CID 64617514
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
2-[1-[[4-[(cyclopropylamino)methyl]oxan-4-yl]methyl]pyrrolidin-3-yl]ethanol
CID 114800136
2-amino-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114798245
2-[1-[(E)-3-chloroprop-2-enyl]pyrrolidin-3-yl]ethanol
CID 115648536

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol (CID 114799708) is 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(CC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol?
The InChIKey is VNBUERGXOFJBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c19-4-2-13-1-3-18(11-13)12-17-8-14-5-15(9-17)7-16(6-14)10-17/h13-16,19H,1-12H2.
What are the key properties of 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol?
2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol has a molecular weight of 263.42 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-adamantylmethyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).