[1-(3,3-diethoxypropylamino)cyclohexyl]methanol

C14H29NO3 — CID 81092728

IUPAC[1-(3,3-diethoxypropylamino)cyclohexyl]methanol
SMILESCCOC(CCNC1(CO)CCCCC1)OCC
InChIInChI=1S/C14H29NO3/c1-3-17-13(18-4-2)8-11-15-14(12-16)9-6-5-7-10-14/h13,15-16H,3-12H2,1-2H3
InChIKeyDBSJUBXBZUESTH-UHFFFAOYSA-N
MW259.39 g/mol
LogP2.06
Rot. Bonds9

About [1-(3,3-diethoxypropylamino)cyclohexyl]methanol

[1-(3,3-diethoxypropylamino)cyclohexyl]methanol (PubChem CID 81092728) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is [1-(3,3-diethoxypropylamino)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(3,3-diethoxypropylamino)cyclohexyl]methanol
PubChem CID81092728
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name[1-(3,3-diethoxypropylamino)cyclohexyl]methanol
SMILESCCOC(CCNC1(CO)CCCCC1)OCC
InChIInChI=1S/C14H29NO3/c1-3-17-13(18-4-2)8-11-15-14(12-16)9-6-5-7-10-14/h13,15-16H,3-12H2,1-2H3
InChIKeyDBSJUBXBZUESTH-UHFFFAOYSA-N
XLogP2.06
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.06
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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Related Compounds

[1-(2-ethoxyethylamino)cyclohexyl]methanol
CID 62521886
[1-(3-methylbutylamino)cyclopentyl]methanol
CID 62523608
[1-(butylamino)cyclohexyl]methanol
CID 62520970
[1-(2,2-dimethoxyethylamino)cyclohexyl]methanol
CID 63697255
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
[1-[(3-methoxy-3-methylbutyl)amino]cyclohexyl]methanol
CID 102977850
[1-(2-fluoroethylamino)cyclohexyl]methanol
CID 80694044
[1-(2-methylsulfanylethylamino)cyclohexyl]methanol
CID 115909619
[8-(propylamino)spiro[4.5]decan-8-yl]methanol
CID 114819876
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]amino]acetate
CID 62520986
(2S)-1-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 94468479
[1-(3-fluoropropylamino)cyclohexyl]methanol
CID 81106456

Frequently Asked Questions

What is the IUPAC name of [1-(3,3-diethoxypropylamino)cyclohexyl]methanol?
The IUPAC name of [1-(3,3-diethoxypropylamino)cyclohexyl]methanol (CID 81092728) is [1-(3,3-diethoxypropylamino)cyclohexyl]methanol.
What is the SMILES notation for [1-(3,3-diethoxypropylamino)cyclohexyl]methanol?
The canonical SMILES for [1-(3,3-diethoxypropylamino)cyclohexyl]methanol is CCOC(CCNC1(CO)CCCCC1)OCC.
What is the InChIKey of [1-(3,3-diethoxypropylamino)cyclohexyl]methanol?
The InChIKey is DBSJUBXBZUESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-3-17-13(18-4-2)8-11-15-14(12-16)9-6-5-7-10-14/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [1-(3,3-diethoxypropylamino)cyclohexyl]methanol?
[1-(3,3-diethoxypropylamino)cyclohexyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 2.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3-diethoxypropylamino)cyclohexyl]methanol is sourced from PubChem (CID 81092728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).