trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol

C15H23NO — CID 100955701

IUPACtrans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
SMILESCCN(c1ccccc1)[C@H]1CCCCC[C@@H]1O
InChIInChI=1S/C15H23NO/c1-2-16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)17/h3,5-6,9-10,14-15,17H,2,4,7-8,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyPOYZRKAIEIBMEI-GJZGRUSLSA-N
MW233.36 g/mol
LogP3.21
Rot. Bonds3

About trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol

trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol (PubChem CID 100955701) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
PubChem CID100955701
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Nametrans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol
SMILESCCN(c1ccccc1)[C@H]1CCCCC[C@@H]1O
InChIInChI=1S/C15H23NO/c1-2-16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)17/h3,5-6,9-10,14-15,17H,2,4,7-8,11-12H2,1H3/t14-,15-/m0/s1
InChIKeyPOYZRKAIEIBMEI-GJZGRUSLSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-2-(N-ethylanilino)cycloheptan-1-ol
CID 10681161
2-N-ethyl-2-N-phenylcyclohexane-1,2-diamine
CID 60725521
trans-(1S,2S)-2-(N-ethyl-4-fluoroanilino)cyclopentan-1-ol
CID 102734657
cis-(1S,2R)-2-(N-phenylanilino)cyclohexan-1-ol
CID 166439438
(4R,5R)-5-(N-ethylanilino)-2,2-dimethyloxan-4-ol
CID 118038763
trans-(1R,2R)-2-(N-methylanilino)cyclopentan-1-ol
CID 10631575
trans-(1S,2S)-2-[benzyl(ethyl)amino]cyclohexan-1-ol
CID 102731816
(3S,4S)-4-(N-ethylanilino)-1,1-dioxothiolan-3-ol
CID 126846713
2-(N-(2-ethylcyclohexyl)anilino)acetic acid
CID 63861803
3-(N-(2-ethylcyclohexyl)anilino)propanethioamide
CID 63863592
N-ethyl-N-phenylcyclohexanecarboxamide
CID 3884538
cis-(1R,2S)-2-(N-methylanilino)cyclobutan-1-ol
CID 131014562

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol (CID 100955701) is trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol is CCN(c1ccccc1)[C@H]1CCCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol?
The InChIKey is POYZRKAIEIBMEI-GJZGRUSLSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-16(13-9-5-3-6-10-13)14-11-7-4-8-12-15(14)17/h3,5-6,9-10,14-15,17H,2,4,7-8,11-12H2,1H3/t14-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol?
trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol has a molecular weight of 233.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(N-ethylanilino)cycloheptan-1-ol is sourced from PubChem (CID 100955701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).