2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol

C13H25NO2 — CID 124855432

IUPAC2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)[C@@H]1C=CCCC1
InChIInChI=1S/C13H25NO2/c1-12(2)14(8-10-16-11-9-15)13-6-4-3-5-7-13/h4,6,12-13,15H,3,5,7-11H2,1-2H3/t13-/m1/s1
InChIKeyZAYQIRMWSWZDKG-CYBMUJFWSA-N
MW227.35 g/mol
LogP1.81
Rot. Bonds7

About 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol

2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol (PubChem CID 124855432) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol
PubChem CID124855432
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol
SMILESCC(C)N(CCOCCO)[C@@H]1C=CCCC1
InChIInChI=1S/C13H25NO2/c1-12(2)14(8-10-16-11-9-15)13-6-4-3-5-7-13/h4,6,12-13,15H,3,5,7-11H2,1-2H3/t13-/m1/s1
InChIKeyZAYQIRMWSWZDKG-CYBMUJFWSA-N
XLogP1.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[cyclopentyl(propan-2-yl)amino]ethoxy]ethanol
CID 111439646
N-ethyl-N-propan-2-ylcyclohex-2-en-1-amine
CID 130679433
2-[[(1R)-cyclohex-2-en-1-yl]-[2-(2,2,2-trifluoroethoxy)ethyl]amino]ethanol
CID 95625752
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclohex-2-en-1-amine
CID 106637323
5-[cyclohex-2-en-1-yl(methyl)amino]pentan-1-ol
CID 107203790
2-[cyclopentyl(propan-2-yl)amino]ethanol
CID 62020033
1-N-cyclohex-2-en-1-yl-1-N-methylpropane-1,2-diamine
CID 126982158
2-[2-methoxyethyl(propan-2-yl)amino]cyclopentan-1-ol
CID 82960183
2-[(2Z)-cyclooct-2-en-1-yl]oxyethanol
CID 130297683
N'-cyclohex-2-en-1-yl-N,N'-dimethylpropane-1,3-diamine
CID 114620612
1-cyclohex-2-en-1-yloxyethanol
CID 143838832
N-[2-(2-hydroxyethoxy)ethyl]-N-propan-2-ylpiperidine-2-carboxamide
CID 114276198

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol (CID 124855432) is 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol is CC(C)N(CCOCCO)[C@@H]1C=CCCC1.
What is the InChIKey of 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol?
The InChIKey is ZAYQIRMWSWZDKG-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H25NO2/c1-12(2)14(8-10-16-11-9-15)13-6-4-3-5-7-13/h4,6,12-13,15H,3,5,7-11H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol?
2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol has a molecular weight of 227.35 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1S)-cyclohex-2-en-1-yl]-propan-2-ylamino]ethoxy]ethanol is sourced from PubChem (CID 124855432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).