[2-(3,3-diethoxypropylamino)cyclopentyl]methanol

C13H27NO3 — CID 114178624

IUPAC[2-(3,3-diethoxypropylamino)cyclopentyl]methanol
SMILESCCOC(CCNC1CCCC1CO)OCC
InChIInChI=1S/C13H27NO3/c1-3-16-13(17-4-2)8-9-14-12-7-5-6-11(12)10-15/h11-15H,3-10H2,1-2H3
InChIKeyBIPCLOKOCPTZQM-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.53
Rot. Bonds9

About [2-(3,3-diethoxypropylamino)cyclopentyl]methanol

[2-(3,3-diethoxypropylamino)cyclopentyl]methanol (PubChem CID 114178624) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is [2-(3,3-diethoxypropylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[2-(3,3-diethoxypropylamino)cyclopentyl]methanol
PubChem CID114178624
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name[2-(3,3-diethoxypropylamino)cyclopentyl]methanol
SMILESCCOC(CCNC1CCCC1CO)OCC
InChIInChI=1S/C13H27NO3/c1-3-16-13(17-4-2)8-9-14-12-7-5-6-11(12)10-15/h11-15H,3-10H2,1-2H3
InChIKeyBIPCLOKOCPTZQM-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(3,3-diethoxypropylamino)cyclopentyl]methanol?
The IUPAC name of [2-(3,3-diethoxypropylamino)cyclopentyl]methanol (CID 114178624) is [2-(3,3-diethoxypropylamino)cyclopentyl]methanol.
What is the SMILES notation for [2-(3,3-diethoxypropylamino)cyclopentyl]methanol?
The canonical SMILES for [2-(3,3-diethoxypropylamino)cyclopentyl]methanol is CCOC(CCNC1CCCC1CO)OCC.
What is the InChIKey of [2-(3,3-diethoxypropylamino)cyclopentyl]methanol?
The InChIKey is BIPCLOKOCPTZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-16-13(17-4-2)8-9-14-12-7-5-6-11(12)10-15/h11-15H,3-10H2,1-2H3.
What are the key properties of [2-(3,3-diethoxypropylamino)cyclopentyl]methanol?
[2-(3,3-diethoxypropylamino)cyclopentyl]methanol has a molecular weight of 245.36 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,3-diethoxypropylamino)cyclopentyl]methanol is sourced from PubChem (CID 114178624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).