2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol

C16H32N2O — CID 63165668

IUPAC2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCC(N(CC)CC)C2)C1
InChIInChI=1S/C16H32N2O/c1-4-13-7-8-16(19)15(11-13)18-10-9-14(12-18)17(5-2)6-3/h13-16,19H,4-12H2,1-3H3
InChIKeyHJHYDCYROQXJTG-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.34
Rot. Bonds5

About 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol

2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol (PubChem CID 63165668) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
PubChem CID63165668
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)C(N2CCC(N(CC)CC)C2)C1
InChIInChI=1S/C16H32N2O/c1-4-13-7-8-16(19)15(11-13)18-10-9-14(12-18)17(5-2)6-3/h13-16,19H,4-12H2,1-3H3
InChIKeyHJHYDCYROQXJTG-UHFFFAOYSA-N
XLogP2.34
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butylpiperidin-1-yl)-4-ethylcyclohexan-1-ol
CID 63470965
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-ethylcyclohexan-1-ol
CID 79935309
2-(3,4-dimethoxypyrrolidin-1-yl)-4-ethylcyclohexan-1-ol
CID 103537746
4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]cyclohexan-1-ol
CID 55116782
4-ethyl-2-(3,3,4-trimethylpiperazin-1-yl)cyclohexan-1-ol
CID 63636104
1-(2-aminocyclopentyl)-N,N-diethylpyrrolidin-3-amine
CID 63164633
3-[3-(diethylamino)pyrrolidin-1-yl]-3,4-dihydro-2H-chromen-4-ol
CID 63165497
1-(4-aminocyclohexyl)-N,N-diethylpyrrolidin-3-amine
CID 63169848
1-(2-aminocyclooctyl)-N,N-diethylpyrrolidin-3-amine
CID 63169813
2-[[3-(diethylamino)pyrrolidin-1-yl]methyl]-4-propylcyclohexan-1-ol
CID 63169050
N,N-diethyl-1-[2-(methylamino)cycloheptyl]pyrrolidin-3-amine
CID 55158009
N,N-diethyl-1-[2-(ethylamino)cyclohexyl]pyrrolidin-3-amine
CID 63169941

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol?
The IUPAC name of 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol (CID 63165668) is 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol is CCC1CCC(O)C(N2CCC(N(CC)CC)C2)C1.
What is the InChIKey of 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol?
The InChIKey is HJHYDCYROQXJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-4-13-7-8-16(19)15(11-13)18-10-9-14(12-18)17(5-2)6-3/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol?
2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol has a molecular weight of 268.44 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylamino)pyrrolidin-1-yl]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 63165668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).