[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol

C11H23NO3 — CID 115454682

IUPAC[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
SMILESCCOC(CNCC1(CO)CC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-10(15-4-2)7-12-8-11(9-13)5-6-11/h10,12-13H,3-9H2,1-2H3
InChIKeyFGPQKZXGRYVMGO-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.75
Rot. Bonds9

About [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol

[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol (PubChem CID 115454682) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
PubChem CID115454682
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol
SMILESCCOC(CNCC1(CO)CC1)OCC
InChIInChI=1S/C11H23NO3/c1-3-14-10(15-4-2)7-12-8-11(9-13)5-6-11/h10,12-13H,3-9H2,1-2H3
InChIKeyFGPQKZXGRYVMGO-UHFFFAOYSA-N
XLogP0.75
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.75
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

2-[1-[(2,2-dimethoxyethylamino)methyl]cyclopropyl]ethanol
CID 114756082
1-[(2,2-diethoxyethylamino)methyl]-4-ethylcyclohexan-1-ol
CID 81094795
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
CID 112703676
1-[[1-(hydroxymethyl)cyclopropyl]methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 113313258
[1-(butylaminomethyl)cyclopropyl]methanol
CID 115454363
ethyl 3-[[1-(hydroxymethyl)cyclopropyl]methylamino]propanoate
CID 115454884
[1-[(2-methoxyethylamino)methyl]cyclopropyl]methanol
CID 115454729
[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
CID 81412012
[1-[(hexylamino)methyl]cyclopropyl]methanol
CID 115454400
3-(2,2-diethoxyethylamino)-2-hydroxypropanamide
CID 106174370
1-[[1-(hydroxymethyl)cyclohexyl]methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990396
[1-[(2,2-dimethylpentylamino)methyl]cyclopropyl]methanol
CID 115243777

Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol (CID 115454682) is [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol is CCOC(CNCC1(CO)CC1)OCC.
What is the InChIKey of [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol?
The InChIKey is FGPQKZXGRYVMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-3-14-10(15-4-2)7-12-8-11(9-13)5-6-11/h10,12-13H,3-9H2,1-2H3.
What are the key properties of [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol?
[1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol has a molecular weight of 217.31 g/mol, XLogP of 0.75, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-diethoxyethylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 115454682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).