2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol

C12H23NO — CID 167068197

IUPAC2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
SMILESCC(C)(C)C1=CC[C@@H](NCCO)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h4,11,13-14H,5-9H2,1-3H3/t11-/m1/s1
InChIKeyGJURZLZQYLCMNX-LLVKDONJSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds3

About 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol

2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol (PubChem CID 167068197) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
PubChem CID167068197
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
SMILESCC(C)(C)C1=CC[C@@H](NCCO)CC1
InChIInChI=1S/C12H23NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h4,11,13-14H,5-9H2,1-3H3/t11-/m1/s1
InChIKeyGJURZLZQYLCMNX-LLVKDONJSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butylamino]ethanol
CID 46193852
2-[1-(6-Fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)ethylamino]ethanol
CID 163990228
2-[(1-Cyclohex-1-en-1-ylethyl)amino]propane-1,3-diol
CID 50980110
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
2-[2-(Cyclohexen-1-yl)ethylamino]ethanol
CID 55209957
2-[(7-Ethyl-2-bicyclo[3.3.1]non-6-enyl)amino]ethanol
CID 122499317
4-tert-butyl-N-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 164769232
N-(4-tert-butylcyclohex-3-en-1-yl)oxetan-3-amine
CID 164769299
2-[(4-Propan-2-ylcyclohex-2-en-1-yl)amino]ethanol
CID 166764496
2-[(4-Tert-butylcyclohex-3-en-1-yl)amino]ethanol
CID 167068192
2-[[(1R)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol
CID 167068203
(1S)-4-tert-butyl-N-(2-methoxyethyl)cyclohex-3-en-1-amine
CID 167068205

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol?
The IUPAC name of 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol (CID 167068197) is 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol.
What is the SMILES notation for 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol?
The canonical SMILES for 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol is CC(C)(C)C1=CC[C@@H](NCCO)CC1.
What is the InChIKey of 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol?
The InChIKey is GJURZLZQYLCMNX-LLVKDONJSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)10-4-6-11(7-5-10)13-8-9-14/h4,11,13-14H,5-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol?
2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-4-tert-butylcyclohex-3-en-1-yl]amino]ethanol is sourced from PubChem (CID 167068197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).