1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol

C13H27NO2 — CID 106452123

IUPAC1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol
SMILESCCCOCCNCC1(O)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-2-10-16-11-9-14-12-13(15)7-5-3-4-6-8-13/h14-15H,2-12H2,1H3
InChIKeyQLWVMLQSWLLGHA-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.09
Rot. Bonds7

About 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol

1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol (PubChem CID 106452123) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol.

Molecular Properties

Compound Name1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol
PubChem CID106452123
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol
SMILESCCCOCCNCC1(O)CCCCCC1
InChIInChI=1S/C13H27NO2/c1-2-10-16-11-9-14-12-13(15)7-5-3-4-6-8-13/h14-15H,2-12H2,1H3
InChIKeyQLWVMLQSWLLGHA-UHFFFAOYSA-N
XLogP2.09
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Methylaminomethyl)cycloheptan-1-ol
CID 60903666
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 60728909
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 62109240
N-[[1-(2,2,2-trifluoroethoxy)cycloheptyl]methyl]ethanamine
CID 62109245
1-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]cycloheptan-1-ol
CID 65123402
1-[[2-(Trifluoromethoxy)ethylamino]methyl]cycloheptan-1-ol
CID 65805624
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]ethanamine
CID 66274644
N-[[1-(1,1,1-trifluoropropan-2-yloxy)cycloheptyl]methyl]propan-1-amine
CID 66274646
1-[(2-Fluoroethylamino)methyl]cycloheptan-1-ol
CID 80694861
1-[(3-Fluoropropylamino)methyl]cycloheptan-1-ol
CID 81105583
N-[[1-(2,2-difluoroethoxy)cycloheptyl]methyl]ethanamine
CID 82006610
N-[[1-(2,2-difluoroethoxy)cycloheptyl]methyl]propan-1-amine
CID 82006855

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol?
The IUPAC name of 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol (CID 106452123) is 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol.
What is the SMILES notation for 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol?
The canonical SMILES for 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol is CCCOCCNCC1(O)CCCCCC1.
What is the InChIKey of 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol?
The InChIKey is QLWVMLQSWLLGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-10-16-11-9-14-12-13(15)7-5-3-4-6-8-13/h14-15H,2-12H2,1H3.
What are the key properties of 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol?
1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propoxyethylamino)methyl]cycloheptan-1-ol is sourced from PubChem (CID 106452123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).