2-[3-(cycloheptylmethylamino)propoxy]ethanol

C13H27NO2 — CID 103992574

IUPAC2-[3-(cycloheptylmethylamino)propoxy]ethanol
SMILESOCCOCCCNCC1CCCCCC1
InChIInChI=1S/C13H27NO2/c15-9-11-16-10-5-8-14-12-13-6-3-1-2-4-7-13/h13-15H,1-12H2
InChIKeyOGVBENYYCOFTJB-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.95
Rot. Bonds8

About 2-[3-(cycloheptylmethylamino)propoxy]ethanol

2-[3-(cycloheptylmethylamino)propoxy]ethanol (PubChem CID 103992574) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-[3-(cycloheptylmethylamino)propoxy]ethanol.

Molecular Properties

Compound Name2-[3-(cycloheptylmethylamino)propoxy]ethanol
PubChem CID103992574
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-[3-(cycloheptylmethylamino)propoxy]ethanol
SMILESOCCOCCCNCC1CCCCCC1
InChIInChI=1S/C13H27NO2/c15-9-11-16-10-5-8-14-12-13-6-3-1-2-4-7-13/h13-15H,1-12H2
InChIKeyOGVBENYYCOFTJB-UHFFFAOYSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(cyclooctylmethylamino)propoxy]ethanol
CID 113362814
3-(cyclooctylmethylamino)propan-1-ol
CID 115674336
3-(2-chloroethoxy)-N-(cyclopentylmethyl)propan-1-amine
CID 106306091
2-(cycloundecylmethylamino)ethanol
CID 123930521
N-(cyclohexylmethyl)-3-methoxypropan-1-amine
CID 17207140
N-(cyclooctylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 114207698
N-(cycloheptylmethyl)-3-cyclopentylpropan-1-amine
CID 106008062
3-[3-(2-hydroxyethoxy)propylamino]propan-1-ol
CID 106309635
2-[3-(1-oxaspiro[4.5]decan-2-ylmethylamino)propoxy]ethanol
CID 106309924
2-[2-[2-[2-(cyclohexylmethoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 142615958
2-[2-(piperidin-4-ylmethylamino)ethoxy]ethanol
CID 79708237
2-[2-(cyclopentylmethoxy)ethoxy]ethanol
CID 59001866

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cycloheptylmethylamino)propoxy]ethanol?
The IUPAC name of 2-[3-(cycloheptylmethylamino)propoxy]ethanol (CID 103992574) is 2-[3-(cycloheptylmethylamino)propoxy]ethanol.
What is the SMILES notation for 2-[3-(cycloheptylmethylamino)propoxy]ethanol?
The canonical SMILES for 2-[3-(cycloheptylmethylamino)propoxy]ethanol is OCCOCCCNCC1CCCCCC1.
What is the InChIKey of 2-[3-(cycloheptylmethylamino)propoxy]ethanol?
The InChIKey is OGVBENYYCOFTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c15-9-11-16-10-5-8-14-12-13-6-3-1-2-4-7-13/h13-15H,1-12H2.
What are the key properties of 2-[3-(cycloheptylmethylamino)propoxy]ethanol?
2-[3-(cycloheptylmethylamino)propoxy]ethanol has a molecular weight of 229.36 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cycloheptylmethylamino)propoxy]ethanol is sourced from PubChem (CID 103992574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).