1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol

C12H25NO3 — CID 65109325

IUPAC1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)OCC(O)CNCC1(O)CCCC1
InChIInChI=1S/C12H25NO3/c1-10(2)16-8-11(14)7-13-9-12(15)5-3-4-6-12/h10-11,13-15H,3-9H2,1-2H3
InChIKeyMYZPYNCQRPEFHC-UHFFFAOYSA-N
MW231.34 g/mol
LogP0.67
Rot. Bonds7

About 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol

1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol (PubChem CID 65109325) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
PubChem CID65109325
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol
SMILESCC(C)OCC(O)CNCC1(O)CCCC1
InChIInChI=1S/C12H25NO3/c1-10(2)16-8-11(14)7-13-9-12(15)5-3-4-6-12/h10-11,13-15H,3-9H2,1-2H3
InChIKeyMYZPYNCQRPEFHC-UHFFFAOYSA-N
XLogP0.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cycloheptan-1-ol
CID 65122217
1-[[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]methyl]cyclopentan-1-ol
CID 106990051
(2R)-1-[[(2R)-2-hydroxy-3-propan-2-yloxypropyl]amino]-3-propan-2-yloxypropan-2-ol
CID 38999921
1-[[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]methyl]cycloheptan-1-ol
CID 65123306
1-[[[2-hydroxy-3-(4-methylpentoxy)propyl]amino]methyl]cycloheptan-1-ol
CID 65122363
1-[[(3-methoxy-2-methylpropyl)amino]methyl]cyclopentan-1-ol
CID 65210997
ethyl 3-hydroxy-4-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 103253206
1-[(2,3-dimethylbutylamino)methyl]cycloheptan-1-ol
CID 64568933
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 62692015
1-[[(2-hydroxy-3-methoxypropyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 65115828
1-[[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]methyl]cyclopentan-1-ol
CID 65108883

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol (CID 65109325) is 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol is CC(C)OCC(O)CNCC1(O)CCCC1.
What is the InChIKey of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is MYZPYNCQRPEFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-10(2)16-8-11(14)7-13-9-12(15)5-3-4-6-12/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol?
1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 231.34 g/mol, XLogP of 0.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-hydroxy-3-propan-2-yloxypropyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 65109325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).