[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol

C14H29NO5 — CID 104567715

IUPAC[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
SMILESCOCCOCCOCCOC1CCCC(N)(CO)C1
InChIInChI=1S/C14H29NO5/c1-17-5-6-18-7-8-19-9-10-20-13-3-2-4-14(15,11-13)12-16/h13,16H,2-12,15H2,1H3
InChIKeyFVZRPSNVBZCZNM-UHFFFAOYSA-N
MW291.39 g/mol
LogP0.31
Rot. Bonds11

About [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol

[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol (PubChem CID 104567715) has the molecular formula C14H29NO5 and a molecular weight of 291.39 g/mol. Its IUPAC name is [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
PubChem CID104567715
Molecular FormulaC14H29NO5
Molecular Weight291.39 g/mol
Exact Mass291.20
IUPAC Name[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol
SMILESCOCCOCCOCCOC1CCCC(N)(CO)C1
InChIInChI=1S/C14H29NO5/c1-17-5-6-18-7-8-19-9-10-20-13-3-2-4-14(15,11-13)12-16/h13,16H,2-12,15H2,1H3
InChIKeyFVZRPSNVBZCZNM-UHFFFAOYSA-N
XLogP0.31
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
CID 104567705
[1-amino-3-(2-propan-2-yloxyethoxy)cyclohexyl]methanol
CID 79640661
[3-[2-(2-methoxyethoxy)ethoxy]-1-(methylamino)cyclohexyl]methanol
CID 104567748
1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentane-1-carboxylic acid
CID 104565132
[3-(2-methoxyethoxy)-1-(methylamino)cyclohexyl]methanol
CID 79640574
1-(ethylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carboxamide
CID 104565261
3-[2-(3-methoxypropoxy)ethoxy]-1-(methylamino)cyclohexane-1-carboxylic acid
CID 103180113
[1-amino-3-(oxan-4-ylmethoxy)cyclohexyl]methanol
CID 79640485
[1-amino-3-(2-methylbutan-2-yloxy)cyclohexyl]methanol
CID 79640493
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 104564889
1-(cyclopropylamino)-3-[2-(2-methoxyethoxy)ethoxy]cyclohexane-1-carbonitrile
CID 104564891
3-[2-(2-methoxyethoxy)ethoxy]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 104565358

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol?
The IUPAC name of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol (CID 104567715) is [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol.
What is the SMILES notation for [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol?
The canonical SMILES for [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol is COCCOCCOCCOC1CCCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol?
The InChIKey is FVZRPSNVBZCZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO5/c1-17-5-6-18-7-8-19-9-10-20-13-3-2-4-14(15,11-13)12-16/h13,16H,2-12,15H2,1H3.
What are the key properties of [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol?
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol has a molecular weight of 291.39 g/mol, XLogP of 0.31, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclohexyl]methanol is sourced from PubChem (CID 104567715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).