2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol

C14H28N2O2 — CID 65166537

IUPAC2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O2/c17-12-11-16-8-3-7-15(9-10-16)6-1-4-14-5-2-13-18-14/h14,17H,1-13H2
InChIKeyWGMKMHROMWFJGD-UHFFFAOYSA-N
MW256.39 g/mol
LogP0.95
Rot. Bonds6

About 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol

2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 65166537) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
PubChem CID65166537
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
SMILESOCCN1CCCN(CCCC2CCCO2)CC1
InChIInChI=1S/C14H28N2O2/c17-12-11-16-8-3-7-15(9-10-16)6-1-4-14-5-2-13-18-14/h14,17H,1-13H2
InChIKeyWGMKMHROMWFJGD-UHFFFAOYSA-N
XLogP0.95
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
3-[4-[2-(oxolan-2-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 65158558
[1-[3-(oxolan-2-yl)propyl]piperidin-3-yl]methanol
CID 65166006
1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159918
(3R,4S)-1-[3-(oxolan-2-yl)propyl]pyrrolidine-3,4-diol
CID 79410973
[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65158902
2-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]acetic acid
CID 79608135
5-[4-[2-(oxolan-2-yl)ethyl]piperazin-1-yl]pentan-1-amine
CID 65158754
(3S)-1-[3-(oxolan-2-yl)propyl]pyrrolidin-3-amine
CID 115302471
N-ethyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-amine
CID 65159145
N-methyl-1-[1-[3-(oxolan-2-yl)propyl]piperidin-4-yl]methanamine
CID 65161247
3-(2-chloroethyl)-1-[3-(oxolan-2-yl)propyl]piperidine
CID 65165279

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol (CID 65166537) is 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol is OCCN1CCCN(CCCC2CCCO2)CC1.
What is the InChIKey of 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is WGMKMHROMWFJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c17-12-11-16-8-3-7-15(9-10-16)6-1-4-14-5-2-13-18-14/h14,17H,1-13H2.
What are the key properties of 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 256.39 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(oxolan-2-yl)propyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 65166537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).