2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol

C12H23NO — CID 106654894

IUPAC2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h7,11,13-14H,4-6,8-9H2,1-3H3
InChIKeyOIJIPLWNQIBWLF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds3

About 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol

2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol (PubChem CID 106654894) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol
PubChem CID106654894
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol
SMILESCC(C)(C)NCC(O)C1=CCCCC1
InChIInChI=1S/C12H23NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h7,11,13-14H,4-6,8-9H2,1-3H3
InChIKeyOIJIPLWNQIBWLF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2R,6Z)-2-(butylamino)-6-tetradecylidenecyclohexan-1-ol
CID 24936063
(E)-1-piperidin-2-ylpent-3-en-2-ol
CID 6377936
2-(Tert-butylamino)-1-(2-chlorocyclohexen-1-yl)ethanol;hydrochloride
CID 24870737
3-[3-(Butylamino)prop-1-en-2-yl]cyclohex-2-en-1-ol
CID 10330722
(2S,6R)-4-ethyl-6-(hexylamino)cyclohex-4-ene-1,2,3-triol
CID 60041215
N-[(1R,2R)-4-ethyl-2-hydroxycyclohex-3-en-1-yl]acetamide
CID 118920479
1-(Cyclohexen-1-yl)-1-(methylamino)propan-2-ol
CID 123328567
(E,2S,3R)-2-(2-hydroxyhexacosylamino)octadec-4-ene-1,3-diol
CID 140532269
cyclobutane;(1S,2E,18S)-18-(hexadecylamino)cyclooctadec-2-en-1-ol
CID 145097794
4-Ethenyl-2-[5-(2-methylprop-2-enylamino)pentyl]cyclohexa-2,4-dien-1-ol
CID 147309129
(2E,3Z)-1-(azepan-2-yl)-2-ethylidenehexa-3,5-dien-1-ol
CID 155088663
4-[1-Hydroxy-2-(propan-2-ylamino)ethyl]cyclohexa-1,3-diene-1,2-diol
CID 164065943

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol?
The IUPAC name of 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol (CID 106654894) is 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol?
The canonical SMILES for 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol is CC(C)(C)NCC(O)C1=CCCCC1.
What is the InChIKey of 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol?
The InChIKey is OIJIPLWNQIBWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2,3)13-9-11(14)10-7-5-4-6-8-10/h7,11,13-14H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol?
2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-(cyclohexen-1-yl)ethanol is sourced from PubChem (CID 106654894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).