cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol

C9H17NO — CID 28660510

IUPACcis-(1S,2R)-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+/m1/s1
InChIKeyOTIPKNWIQIQHLA-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

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

cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol (PubChem CID 28660510) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol
PubChem CID28660510
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namecis-(1S,2R)-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+/m1/s1
InChIKeyOTIPKNWIQIQHLA-BDAKNGLRSA-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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Related Compounds

rac-(1R,2R)-2-((propan-2-yl)amino)cyclohexan-1-ol
CID 11030075
2-[(Propan-2-yl)amino]cyclohexan-1-ol
CID 5213647
2-(2-Hydroxyethylamino)cyclohexan-1-ol
CID 12846902
trans-(1R,2R)-2-(propan-2-ylamino)cyclohexan-1-ol
CID 13447992
2-(Propylamino)cyclohexan-1-ol
CID 15560801
1-Fluoro-2-(prop-2-enylamino)octan-3-ol
CID 88766538
trans-(1R,2R)-2-(butylamino)cyclohexan-1-ol
CID 13343834
trans-(1S,2S)-2-(propylamino)cyclohexan-1-ol
CID 28660473
cis-(1S,2R)-2-(butylamino)cyclohexan-1-ol
CID 93317475
2-(Allylamino)cyclohexanol
CID 12642244
2-(Butylamino)cyclohexan-1-ol
CID 13343835
2-(2,5-Dihydropyrrol-1-yl)cyclohexan-1-ol
CID 13655450

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol (CID 28660510) is cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol is C=CCN[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol?
The InChIKey is OTIPKNWIQIQHLA-BDAKNGLRSA-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+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol?
cis-(1S,2R)-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 cis-(1S,2R)-2-(prop-2-enylamino)cyclohexan-1-ol is sourced from PubChem (CID 28660510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).