(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol

C9H17NO — CID 99130605

IUPAC(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol
SMILESCN[C@H]1CCC=CCC[C@H]1O
InChIInChI=1S/C9H17NO/c1-10-8-6-4-2-3-5-7-9(8)11/h2-3,8-11H,4-7H2,1H3/t8-,9+/m0/s1
InChIKeyZIPHROPQEVRVEK-DTWKUNHWSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds1

About (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol

(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol (PubChem CID 99130605) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol
PubChem CID99130605
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol
SMILESCN[C@H]1CCC=CCC[C@H]1O
InChIInChI=1S/C9H17NO/c1-10-8-6-4-2-3-5-7-9(8)11/h2-3,8-11H,4-7H2,1H3/t8-,9+/m0/s1
InChIKeyZIPHROPQEVRVEK-DTWKUNHWSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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

cis-(1R,2S)-2-(methylamino)cyclononan-1-ol
CID 138485260
trans-(1R,2R)-2-(methylamino)cyclopentan-1-ol;hydrochloride
CID 155904143
(1S,4R,5R,8R)-5-(methylamino)bicyclo[6.1.0]nonan-4-ol
CID 125453764
tert-butyl N-[(1R,4E,8S)-8-(methylamino)cyclooct-4-en-1-yl]carbamate
CID 118458941
3-(methylamino)oxan-4-ol
CID 55287171
N-methylcyclohex-3-en-1-amine
CID 12702515
(2R)-1-N,2-N-dimethylcyclohex-4-ene-1,2-diamine
CID 170074560
(3S,4R)-4-(methylamino)oxan-3-ol
CID 68677504
(3R,4R)-1-methyl-4-(methylamino)piperidin-3-ol
CID 67311955
(1S,8R)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 124665894
1-methyl-3-(methylamino)azepan-4-ol
CID 54098194
(1S,4E,8E,12R)-12-chlorocyclododeca-4,8-dien-1-ol
CID 13049643

Frequently Asked Questions

What is the IUPAC name of (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol?
The IUPAC name of (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol (CID 99130605) is (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol.
What is the SMILES notation for (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol?
The canonical SMILES for (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol is CN[C@H]1CCC=CCC[C@H]1O.
What is the InChIKey of (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol?
The InChIKey is ZIPHROPQEVRVEK-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-10-8-6-4-2-3-5-7-9(8)11/h2-3,8-11H,4-7H2,1H3/t8-,9+/m0/s1.
What are the key properties of (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol?
(1R,8S)-8-(methylamino)cyclooct-4-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S)-8-(methylamino)cyclooct-4-en-1-ol is sourced from PubChem (CID 99130605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).