3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol

C14H29NO3 — CID 65111381

IUPAC3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COC1CCCC1
InChIInChI=1S/C14H29NO3/c1-3-14(17,4-2)11-15-9-12(16)10-18-13-7-5-6-8-13/h12-13,15-17H,3-11H2,1-2H3
InChIKeyFSIWMIPBZVQBHK-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.45
Rot. Bonds9

About 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol

3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol (PubChem CID 65111381) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
PubChem CID65111381
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCC(O)COC1CCCC1
InChIInChI=1S/C14H29NO3/c1-3-14(17,4-2)11-15-9-12(16)10-18-13-7-5-6-8-13/h12-13,15-17H,3-11H2,1-2H3
InChIKeyFSIWMIPBZVQBHK-UHFFFAOYSA-N
XLogP1.45
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
2-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]-2-ethylbutan-1-ol
CID 106255989
1-cyclopentyloxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632425
1-cyclopentyloxy-3-[(2-ethoxy-2-methylpropyl)amino]propan-2-ol
CID 114941871
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol (CID 65111381) is 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol is CCC(O)(CC)CNCC(O)COC1CCCC1.
What is the InChIKey of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
The InChIKey is FSIWMIPBZVQBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-14(17,4-2)11-15-9-12(16)10-18-13-7-5-6-8-13/h12-13,15-17H,3-11H2,1-2H3.
What are the key properties of 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol?
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol has a molecular weight of 259.39 g/mol, XLogP of 1.45, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 65111381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).