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

C10H21NO2 — CID 106452596

IUPAC1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
SMILESCCCOCCNCC1(O)CCC1
InChIInChI=1S/C10H21NO2/c1-2-7-13-8-6-11-9-10(12)4-3-5-10/h11-12H,2-9H2,1H3
InChIKeyUBJKXKHZSUSKDX-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.92
Rot. Bonds7

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

1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol (PubChem CID 106452596) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
PubChem CID106452596
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol
SMILESCCCOCCNCC1(O)CCC1
InChIInChI=1S/C10H21NO2/c1-2-7-13-8-6-11-9-10(12)4-3-5-10/h11-12H,2-9H2,1H3
InChIKeyUBJKXKHZSUSKDX-UHFFFAOYSA-N
XLogP0.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.92
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-[(2-butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
1-[(2-methoxyethylamino)methyl]cyclobutan-1-ol
CID 80500939
4-[(2-butoxyethylamino)methyl]oxan-4-ol
CID 81131048
1-[(2-methoxyethylamino)methyl]cyclopentan-1-ol
CID 62773566
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-propoxyethanamine
CID 106457795
1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103080616
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837
4-ethyl-1-[[2-(3-methoxypropoxy)ethylamino]methyl]cyclohexan-1-ol
CID 103179102
1-[(octylamino)methyl]cyclohexan-1-ol
CID 65106974
N-[(1-hydroxycyclohexyl)methyl]-3-propoxypropanamide
CID 65114001
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
3,3-dimethyl-1-(propoxymethyl)cyclohexan-1-ol
CID 79567262

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol (CID 106452596) is 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol is CCCOCCNCC1(O)CCC1.
What is the InChIKey of 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol?
The InChIKey is UBJKXKHZSUSKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-2-7-13-8-6-11-9-10(12)4-3-5-10/h11-12H,2-9H2,1H3.
What are the key properties of 1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol?
1-[(2-propoxyethylamino)methyl]cyclobutan-1-ol has a molecular weight of 187.28 g/mol, XLogP of 0.92, 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]cyclobutan-1-ol is sourced from PubChem (CID 106452596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).