1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol

C12H25NO3 — CID 102697876

IUPAC1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
SMILESCOC(C)CNCC(O)COC1CCCC1
InChIInChI=1S/C12H25NO3/c1-10(15-2)7-13-8-11(14)9-16-12-5-3-4-6-12/h10-14H,3-9H2,1-2H3
InChIKeyFHCYISMPOTUZIA-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.93
Rot. Bonds8

About 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol

1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol (PubChem CID 102697876) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
PubChem CID102697876
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
SMILESCOC(C)CNCC(O)COC1CCCC1
InChIInChI=1S/C12H25NO3/c1-10(15-2)7-13-8-11(14)9-16-12-5-3-4-6-12/h10-14H,3-9H2,1-2H3
InChIKeyFHCYISMPOTUZIA-UHFFFAOYSA-N
XLogP0.93
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
1-cyclohexyloxy-3-[(2-methyl-3-methylsulfanylpropyl)amino]propan-2-ol
CID 63966706
1-cyclohexyloxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760353
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]propan-2-ol
CID 62991174
1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-cyclopentyloxy-3-(2-phenylpropylamino)propan-2-ol
CID 104591392
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
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-ethoxyethylamino)propan-2-ol
CID 60909932
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 54934973

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol (CID 102697876) is 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol is COC(C)CNCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol?
The InChIKey is FHCYISMPOTUZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(15-2)7-13-8-11(14)9-16-12-5-3-4-6-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol?
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol has a molecular weight of 231.34 g/mol, XLogP of 0.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol is sourced from PubChem (CID 102697876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).