1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol

C12H23NO2 — CID 60635341

IUPAC1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-8-13-9-11(14)10-15-12-6-4-3-5-7-12/h2,11-14H,1,3-10H2
InChIKeyOAUBJMYDUKPQCW-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds7

About 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol

1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol (PubChem CID 60635341) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
PubChem CID60635341
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COC1CCCCC1
InChIInChI=1S/C12H23NO2/c1-2-8-13-9-11(14)10-15-12-6-4-3-5-7-12/h2,11-14H,1,3-10H2
InChIKeyOAUBJMYDUKPQCW-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 63827682
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(cyclopentylamino)propan-2-ol;hydrochloride
CID 44782577
1-(cyclobutylamino)-3-cyclohexyloxypropan-2-ol
CID 62414367
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
1-cyclohexyloxy-3-(2-piperidin-1-ylethylamino)propan-2-ol
CID 60969149
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol (CID 60635341) is 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)COC1CCCCC1.
What is the InChIKey of 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is OAUBJMYDUKPQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-2-8-13-9-11(14)10-15-12-6-4-3-5-7-12/h2,11-14H,1,3-10H2.
What are the key properties of 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol?
1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyloxy-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 60635341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).