2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol

C11H21NO2 — CID 2846062

IUPAC2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC1CC=CCC1
InChIInChI=1S/C11H21NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-2,11,13-14H,3-10H2
InChIKeyHGUDHCKQWSFJIO-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.63
Rot. Bonds6

About 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol

2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol (PubChem CID 2846062) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol
PubChem CID2846062
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)CC1CC=CCC1
InChIInChI=1S/C11H21NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-2,11,13-14H,3-10H2
InChIKeyHGUDHCKQWSFJIO-UHFFFAOYSA-N
XLogP0.63
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2845835
2-cyclohept-4-en-1-ylethanol
CID 123466891
2-[cyclopentylmethyl(cyclopropylmethyl)amino]ethanol
CID 115593687
3-[cyclobutylmethyl(2-hydroxyethyl)amino]propan-1-ol
CID 68639029
cyclohept-4-en-1-ylmethanol
CID 12630426
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
CID 43180683
(4R)-4-(iodomethyl)cyclohexene
CID 11770032
2-[2-hydroxyethyl(oxolan-3-ylmethyl)amino]ethanol
CID 62021134
2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 115883971
2-[2-hydroxyethyl-[(4-methoxycyclohexyl)methyl]amino]ethanol
CID 138519661
N-(cyclohex-3-en-1-ylmethyl)-2-[4-[2-[cyclohex-3-en-1-ylmethyl(methyl)amino]-2-oxoethyl]phenyl]-N-methylacetamide
CID 166214843

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol (CID 2846062) is 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol is OCCN(CCO)CC1CC=CCC1.
What is the InChIKey of 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol?
The InChIKey is HGUDHCKQWSFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-8-6-12(7-9-14)10-11-4-2-1-3-5-11/h1-2,11,13-14H,3-10H2.
What are the key properties of 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol?
2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol has a molecular weight of 199.29 g/mol, XLogP of 0.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 2846062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).