5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol

C9H17NO — CID 15686615

IUPAC5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol
SMILESCNCCC1CC=CC(O)C1
InChIInChI=1S/C9H17NO/c1-10-6-5-8-3-2-4-9(11)7-8/h2,4,8-11H,3,5-7H2,1H3
InChIKeyHUVDZYQXFQKHOR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds3

About 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol

5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol (PubChem CID 15686615) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol.

Molecular Properties

Compound Name5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol
PubChem CID15686615
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol
SMILESCNCCC1CC=CC(O)C1
InChIInChI=1S/C9H17NO/c1-10-6-5-8-3-2-4-9(11)7-8/h2,4,8-11H,3,5-7H2,1H3
InChIKeyHUVDZYQXFQKHOR-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
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-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
(E)-3-[4-(methylaminomethyl)cyclohexyl]prop-2-en-1-ol
CID 69638544
3-[4-(Methylaminomethyl)cyclohexyl]prop-2-en-1-ol
CID 69638548
1-(Cyclohex-3-en-1-yl)-2-(methylamino)ethan-1-ol
CID 84013562
(2E)-2-ethenyl-1-piperidin-3-ylpenta-2,4-dien-1-ol
CID 88267971
(5E)-6-piperidin-4-ylocta-1,5-dien-4-ol
CID 89140271
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
5-Prop-1-enylazepan-3-ol
CID 123299376
4-(Methylaminomethyl)cyclohex-2-en-1-ol
CID 123898652
(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol
CID 129303279
1-[(1R)-cyclohex-2-en-1-yl]-3-(methylamino)propan-1-ol
CID 141795329
2-(Methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
CID 142113831

Frequently Asked Questions

What is the IUPAC name of 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol?
The IUPAC name of 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol (CID 15686615) is 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol.
What is the SMILES notation for 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol?
The canonical SMILES for 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol is CNCCC1CC=CC(O)C1.
What is the InChIKey of 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol?
The InChIKey is HUVDZYQXFQKHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-6-5-8-3-2-4-9(11)7-8/h2,4,8-11H,3,5-7H2,1H3.
What are the key properties of 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol?
5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(methylamino)ethyl]cyclohex-2-en-1-ol is sourced from PubChem (CID 15686615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).