1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol

C15H31NO4 — CID 65123306

IUPAC1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
SMILESCCOCCOCC(O)CNCC1(O)CCCCCC1
InChIInChI=1S/C15H31NO4/c1-2-19-9-10-20-12-14(17)11-16-13-15(18)7-5-3-4-6-8-15/h14,16-18H,2-13H2,1H3
InChIKeyDPYGWZUKCQMMJN-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.08
Rot. Bonds10

About 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol

1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol (PubChem CID 65123306) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
PubChem CID65123306
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
SMILESCCOCCOCC(O)CNCC1(O)CCCCCC1
InChIInChI=1S/C15H31NO4/c1-2-19-9-10-20-12-14(17)11-16-13-15(18)7-5-3-4-6-8-15/h14,16-18H,2-13H2,1H3
InChIKeyDPYGWZUKCQMMJN-UHFFFAOYSA-N
XLogP1.08
TPSA70.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
CID 65109325
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
3-[[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]methyl]oxolan-3-ol
CID 106100411
1-[[[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65123112
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
1-(2-cyclopropylpropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 113226892
1-(2-ethoxyethoxy)-3-(hex-5-ynylamino)propan-2-ol
CID 106211324
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol?
The IUPAC name of 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol (CID 65123306) is 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol is CCOCCOCC(O)CNCC1(O)CCCCCC1.
What is the InChIKey of 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol?
The InChIKey is DPYGWZUKCQMMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-2-19-9-10-20-12-14(17)11-16-13-15(18)7-5-3-4-6-8-15/h14,16-18H,2-13H2,1H3.
What are the key properties of 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol?
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 1.08, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol is sourced from PubChem (CID 65123306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).