(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol

C15H21NO — CID 10585628

IUPAC(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol
SMILESCN(c1ccccc1)[C@@H]1CC/C=C\CC[C@H]1O
InChIInChI=1S/C15H21NO/c1-16(13-9-5-4-6-10-13)14-11-7-2-3-8-12-15(14)17/h2-6,9-10,14-15,17H,7-8,11-12H2,1H3/b3-2-/t14-,15-/m1/s1
InChIKeyNQWALIODAFRWHP-OKYAQOQYSA-N
MW231.34 g/mol
LogP2.98
Rot. Bonds2

About (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol

(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol (PubChem CID 10585628) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol.

Molecular Properties

Compound Name(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol
PubChem CID10585628
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol
SMILESCN(c1ccccc1)[C@@H]1CC/C=C\CC[C@H]1O
InChIInChI=1S/C15H21NO/c1-16(13-9-5-4-6-10-13)14-11-7-2-3-8-12-15(14)17/h2-6,9-10,14-15,17H,7-8,11-12H2,1H3/b3-2-/t14-,15-/m1/s1
InChIKeyNQWALIODAFRWHP-OKYAQOQYSA-N
XLogP2.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-(N-methylanilino)cyclobutan-1-ol
CID 131014562
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
(1S,8R)-8-(dimethylamino)cyclooct-4-en-1-ol
CID 124665894
[(4E)-8-aminocyclooct-4-en-1-yl]-phenylcarbamic acid
CID 71014615
cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
CID 166439438
2-[methyl(pyridin-2-yl)amino]cyclobutan-1-ol
CID 126856660
3-(N-methylanilino)cyclopentane-1-carbonitrile
CID 66606316
[(1S,2S)-2-(N-methylanilino)cyclohexyl] acetate
CID 100993508
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
CID 100955701
trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
4-[(2-hydroxycyclohexyl)-methylamino]benzonitrile
CID 62983263
cyclohexa-1,3-diene;N-methyl-N-phenylaniline
CID 163291837

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol?
The IUPAC name of (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol (CID 10585628) is (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol.
What is the SMILES notation for (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol?
The canonical SMILES for (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol is CN(c1ccccc1)[C@@H]1CC/C=C\CC[C@H]1O.
What is the InChIKey of (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol?
The InChIKey is NQWALIODAFRWHP-OKYAQOQYSA-N. The full InChI is InChI=1S/C15H21NO/c1-16(13-9-5-4-6-10-13)14-11-7-2-3-8-12-15(14)17/h2-6,9-10,14-15,17H,7-8,11-12H2,1H3/b3-2-/t14-,15-/m1/s1.
What are the key properties of (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol?
(1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol has a molecular weight of 231.34 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8R)-8-(N-methylanilino)cyclooct-4-en-1-ol is sourced from PubChem (CID 10585628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).