ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol

C15H33NO2 — CID 144711905

IUPACethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
SMILESCC.CCC(CCO)CCCCN1CCOCC1
InChIInChI=1S/C13H27NO2.C2H6/c1-2-13(6-10-15)5-3-4-7-14-8-11-16-12-9-14;1-2/h13,15H,2-12H2,1H3;1-2H3
InChIKeyYRHCSLHAIDXEBB-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.92
Rot. Bonds8

About ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol

ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol (PubChem CID 144711905) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol.

Molecular Properties

Compound Nameethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
PubChem CID144711905
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameethane;3-ethyl-7-morpholin-4-ylheptan-1-ol
SMILESCC.CCC(CCO)CCCCN1CCOCC1
InChIInChI=1S/C13H27NO2.C2H6/c1-2-13(6-10-15)5-3-4-7-14-8-11-16-12-9-14;1-2/h13,15H,2-12H2,1H3;1-2H3
InChIKeyYRHCSLHAIDXEBB-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3R)-7-morpholin-4-yl-3-propylheptan-1-ol
CID 118890062
ethane;4-morpholin-4-ylbutan-1-ol
CID 162683886
(3S)-3-methyl-6-morpholin-4-ylhexan-1-ol
CID 174809295
9-morpholin-4-ylnonan-1-ol
CID 58205558
20-morpholin-4-ylicosan-1-ol
CID 58205553
18-morpholin-4-yloctadecan-7-ol
CID 154324774
(3S)-3-(2,2-dimethylpropyl)-8-(4-ethylpiperazin-1-yl)octan-1-ol
CID 118887619
(3R)-3-propyl-7-thiomorpholin-4-ylheptan-1-ol
CID 118890204
2-(16-ethyl-1,4,7,13-tetraoxa-10,16-diazacyclooctadec-10-yl)ethanol
CID 14611743
2-ethyl-4-morpholin-4-ylbutan-1-amine
CID 81080457
4-hexylmorpholine
CID 3614751
4-(5-methoxyoctyl)morpholine
CID 144712043

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol?
The IUPAC name of ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol (CID 144711905) is ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol.
What is the SMILES notation for ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol?
The canonical SMILES for ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol is CC.CCC(CCO)CCCCN1CCOCC1.
What is the InChIKey of ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol?
The InChIKey is YRHCSLHAIDXEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6/c1-2-13(6-10-15)5-3-4-7-14-8-11-16-12-9-14;1-2/h13,15H,2-12H2,1H3;1-2H3.
What are the key properties of ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol?
ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol has a molecular weight of 259.43 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-7-morpholin-4-ylheptan-1-ol is sourced from PubChem (CID 144711905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).