[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol

C18H37NO2 — CID 79638608

IUPAC[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCCCCCCCOC1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C18H37NO2/c1-4-5-6-7-8-9-13-21-17-11-10-12-18(14-17,15-20)19-16(2)3/h16-17,19-20H,4-15H2,1-3H3
InChIKeySZFYGOQBKMCZSO-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.04
Rot. Bonds11

About [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol

[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol (PubChem CID 79638608) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
PubChem CID79638608
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
SMILESCCCCCCCCOC1CCCC(CO)(NC(C)C)C1
InChIInChI=1S/C18H37NO2/c1-4-5-6-7-8-9-13-21-17-11-10-12-18(14-17,15-20)19-16(2)3/h16-17,19-20H,4-15H2,1-3H3
InChIKeySZFYGOQBKMCZSO-UHFFFAOYSA-N
XLogP4.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.04
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

[3-pentoxy-1-(propylamino)cyclohexyl]methanol
CID 79641151
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
CID 82793798
[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640739
3-octoxy-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79639620
3-butoxy-1-(propan-2-ylamino)cyclohexane-1-carboxamide
CID 79637341
methyl 3-pentoxy-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79648776
3-hexoxy-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649116
[1-(ethylamino)-3-(2-methylpropoxy)cyclohexyl]methanol
CID 79640982
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
1-amino-3-pentoxycyclohexane-1-carboxylic acid
CID 79638175

Frequently Asked Questions

What is the IUPAC name of [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
The IUPAC name of [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol (CID 79638608) is [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol.
What is the SMILES notation for [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
The canonical SMILES for [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol is CCCCCCCCOC1CCCC(CO)(NC(C)C)C1.
What is the InChIKey of [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
The InChIKey is SZFYGOQBKMCZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-4-5-6-7-8-9-13-21-17-11-10-12-18(14-17,15-20)19-16(2)3/h16-17,19-20H,4-15H2,1-3H3.
What are the key properties of [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol?
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol has a molecular weight of 299.50 g/mol, XLogP of 4.04, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol is sourced from PubChem (CID 79638608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).