[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol

C12H26N2O3 — CID 79655898

IUPAC[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol
SMILESCOCCN(CCOC)C1CCC(N)(CO)C1
InChIInChI=1S/C12H26N2O3/c1-16-7-5-14(6-8-17-2)11-3-4-12(13,9-11)10-15/h11,15H,3-10,13H2,1-2H3
InChIKeyXXPREBGMSVZIQQ-UHFFFAOYSA-N
MW246.35 g/mol
LogP-0.18
Rot. Bonds8

About [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol

[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol (PubChem CID 79655898) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol
PubChem CID79655898
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol
SMILESCOCCN(CCOC)C1CCC(N)(CO)C1
InChIInChI=1S/C12H26N2O3/c1-16-7-5-14(6-8-17-2)11-3-4-12(13,9-11)10-15/h11,15H,3-10,13H2,1-2H3
InChIKeyXXPREBGMSVZIQQ-UHFFFAOYSA-N
XLogP-0.18
TPSA67.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-amino-3-[2-methoxyethyl(propan-2-yl)amino]cyclopentyl]methanol
CID 82965328
[1-amino-3-(dibutylamino)cyclopentyl]methanol
CID 79656278
[1-amino-3-(diethylamino)cyclopentyl]methanol
CID 79656193
[1-amino-3-[cyclopentyl(methyl)amino]cyclopentyl]methanol
CID 79656037
1-amino-3-[ethyl(2-methoxyethyl)amino]cyclohexane-1-carboxylic acid
CID 79641683
[1-amino-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]cyclopentyl]methanol
CID 104567705
[1-amino-3-[ethyl(2,2,2-trifluoroethyl)amino]cyclopentyl]methanol
CID 79657041
[1-amino-3-[propan-2-yl(propyl)amino]cyclopentyl]methanol
CID 79656528
[1-amino-3-[ethyl(2-methylbutyl)amino]cyclopentyl]methanol
CID 79645998
[1-amino-3-[bis(2-methylpropyl)amino]cyclohexyl]methanol
CID 79640620
[1-amino-3-[methyl(pentan-3-yl)amino]cyclopentyl]methanol
CID 79657029
[3-[2-methoxyethyl(2-methylpropyl)amino]-1-(methylamino)cyclopentyl]methanol
CID 79655970

Frequently Asked Questions

What is the IUPAC name of [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol?
The IUPAC name of [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol (CID 79655898) is [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol.
What is the SMILES notation for [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol?
The canonical SMILES for [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol is COCCN(CCOC)C1CCC(N)(CO)C1.
What is the InChIKey of [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol?
The InChIKey is XXPREBGMSVZIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-16-7-5-14(6-8-17-2)11-3-4-12(13,9-11)10-15/h11,15H,3-10,13H2,1-2H3.
What are the key properties of [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol?
[1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol has a molecular weight of 246.35 g/mol, XLogP of -0.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-3-[bis(2-methoxyethyl)amino]cyclopentyl]methanol is sourced from PubChem (CID 79655898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).