trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol

C9H17NO — CID 28660506

IUPACtrans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol
SMILESC=CCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H17NO/c1-2-7-10-8-5-3-4-6-9(8)11/h2,8-11H,1,3-7H2/t8-,9-/m0/s1
InChIKeyOTIPKNWIQIQHLA-IUCAKERBSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol

trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol (PubChem CID 28660506) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol
PubChem CID28660506
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Nametrans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol
SMILESC=CCN[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H17NO/c1-2-7-10-8-5-3-4-6-9(8)11/h2,8-11H,1,3-7H2/t8-,9-/m0/s1
InChIKeyOTIPKNWIQIQHLA-IUCAKERBSA-N
XLogP1.07
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 ≤ 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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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol (CID 28660506) is trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol is C=CCN[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol?
The InChIKey is OTIPKNWIQIQHLA-IUCAKERBSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-7-10-8-5-3-4-6-9(8)11/h2,8-11H,1,3-7H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol?
trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(prop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 28660506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).