5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

C17H35NO2 — CID 106810147

IUPAC5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCOCC1CCCCC1)NC(C)C
InChIInChI=1S/C17H35NO2/c1-4-17(14-19,18-15(2)3)11-8-12-20-13-16-9-6-5-7-10-16/h15-16,18-19H,4-14H2,1-3H3
InChIKeyWKWCKRLOJYVKSQ-UHFFFAOYSA-N
MW285.47 g/mol
LogP3.50
Rot. Bonds10

About 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol

5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106810147) has the molecular formula C17H35NO2 and a molecular weight of 285.47 g/mol. Its IUPAC name is 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106810147
Molecular FormulaC17H35NO2
Molecular Weight285.47 g/mol
Exact Mass285.27
IUPAC Name5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
SMILESCCC(CO)(CCCOCC1CCCCC1)NC(C)C
InChIInChI=1S/C17H35NO2/c1-4-17(14-19,18-15(2)3)11-8-12-20-13-16-9-6-5-7-10-16/h15-16,18-19H,4-14H2,1-3H3
InChIKeyWKWCKRLOJYVKSQ-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.47
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
CID 106810270
2-amino-5-(cyclopentylmethoxy)-2-ethylpentan-1-ol
CID 106810639
2-ethyl-2-(ethylamino)-5-(oxan-4-ylmethoxy)pentan-1-ol
CID 106810155
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810597
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)pentan-1-ol
CID 106810300
ethyl 5-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 66323112
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
2-ethyl-5-(3-ethylpiperidin-1-yl)-2-(propan-2-ylamino)pentan-1-ol
CID 106809284
6-(cyclohexylmethoxy)-2-methyl-2-(propylamino)hexan-1-ol
CID 64811173
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106809903
3-(cyclohexylmethoxy)-N-propan-2-ylpropan-1-amine
CID 62343201

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol (CID 106810147) is 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is CCC(CO)(CCCOCC1CCCCC1)NC(C)C.
What is the InChIKey of 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is WKWCKRLOJYVKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO2/c1-4-17(14-19,18-15(2)3)11-8-12-20-13-16-9-6-5-7-10-16/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol?
5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 285.47 g/mol, XLogP of 3.50, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106810147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).