1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol

C12H23NO2 — CID 114467107

IUPAC1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol
SMILESC=C(C)COCCNCC1(O)CCCC1
InChIInChI=1S/C12H23NO2/c1-11(2)9-15-8-7-13-10-12(14)5-3-4-6-12/h13-14H,1,3-10H2,2H3
InChIKeyLVQKIMAFXZWDBA-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.47
Rot. Bonds7

About 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol

1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol (PubChem CID 114467107) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol
PubChem CID114467107
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol
SMILESC=C(C)COCCNCC1(O)CCCC1
InChIInChI=1S/C12H23NO2/c1-11(2)9-15-8-7-13-10-12(14)5-3-4-6-12/h13-14H,1,3-10H2,2H3
InChIKeyLVQKIMAFXZWDBA-UHFFFAOYSA-N
XLogP1.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-{[(2-Methoxyethyl)amino]methyl}cyclopentan-1-ol
CID 62773566
1-[[2-(3-Methylbutoxy)ethylamino]methyl]cyclopentan-1-ol
CID 65108679
1-[(2-Butoxyethylamino)methyl]cyclopentan-1-ol
CID 65108781
1-[(2-Propan-2-yloxyethylamino)methyl]cyclopentan-1-ol
CID 65109101
1-[(2-Ethoxyethylamino)methyl]cyclopentan-1-ol
CID 65111237
1-Cyclopentyl-3-[2-(2-methylprop-2-enoxy)ethylamino]propan-2-ol
CID 103158401
1-[[2-(3-Methoxypropoxy)ethylamino]methyl]cyclopentan-1-ol
CID 103179093
1-[(2-Propoxyethylamino)methyl]cyclopentan-1-ol
CID 106452115
6-[2-(2-Methylprop-2-enoxy)ethylamino]hexan-1-ol
CID 107703679
1-[(1-Hydroxycyclopentyl)methyl]-3-[2-(2-methylprop-2-enoxy)ethyl]urea
CID 112294039
1-[[2-[(2-Methylpropan-2-yl)oxy]ethylamino]methyl]cyclopentan-1-ol
CID 112589182
1-[[2-(2-Methylprop-2-enoxy)ethylamino]methyl]cycloheptan-1-ol
CID 113589349

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol (CID 114467107) is 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol is C=C(C)COCCNCC1(O)CCCC1.
What is the InChIKey of 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol?
The InChIKey is LVQKIMAFXZWDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2)9-15-8-7-13-10-12(14)5-3-4-6-12/h13-14H,1,3-10H2,2H3.
What are the key properties of 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol?
1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114467107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).