2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol

C10H21NO2 — CID 90089070

IUPAC2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol
SMILESCCCCO[C@H]1CC[C@H]1NCCO
InChIInChI=1S/C10H21NO2/c1-2-3-8-13-10-5-4-9(10)11-6-7-12/h9-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyGIZLADJFKQIJMN-ZJUUUORDSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds7

About 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol

2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol (PubChem CID 90089070) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol
PubChem CID90089070
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol
SMILESCCCCO[C@H]1CC[C@H]1NCCO
InChIInChI=1S/C10H21NO2/c1-2-3-8-13-10-5-4-9(10)11-6-7-12/h9-12H,2-8H2,1H3/t9-,10+/m1/s1
InChIKeyGIZLADJFKQIJMN-ZJUUUORDSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
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-octoxy-N-propylcyclooctan-1-amine
CID 63476166
2-octoxy-N-propylcycloheptan-1-amine
CID 63473942
2-butoxycyclobutan-1-ol
CID 123438323
4-tert-butyl-2-hexoxy-N-propylcyclohexan-1-amine
CID 63474740
N-ethyl-2-hexoxycycloheptan-1-amine
CID 55135932
N-ethyl-2-octoxycycloheptan-1-amine
CID 63473760
2-propoxy-N-propylcyclododecan-1-amine
CID 63500356
1,2-dibutoxycyclohexane
CID 24962665
2-[3-(2-methoxyethoxy)propoxy]-N-propylcyclohexan-1-amine
CID 103401822
butoxycyclopentane;ethane-1,2-diol
CID 174670164
N-ethyl-2-octoxy-4-propylcyclohexan-1-amine
CID 63474035
3-octoxy-2-propoxy-N-propylcyclobutan-1-amine
CID 107943487

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol?
The IUPAC name of 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol (CID 90089070) is 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol.
What is the SMILES notation for 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol?
The canonical SMILES for 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol is CCCCO[C@H]1CC[C@H]1NCCO.
What is the InChIKey of 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol?
The InChIKey is GIZLADJFKQIJMN-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-3-8-13-10-5-4-9(10)11-6-7-12/h9-12H,2-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol?
2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2S)-2-butoxycyclobutyl]amino]ethanol is sourced from PubChem (CID 90089070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).