4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol

C11H23NO2 — CID 115973599

IUPAC4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
SMILESC=C(C)COCCNC(C)CCCO
InChIInChI=1S/C11H23NO2/c1-10(2)9-14-8-6-12-11(3)5-4-7-13/h11-13H,1,4-9H2,2-3H3
InChIKeyDVPFHLIEVVDQRK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.33
Rot. Bonds9

About 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol

4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol (PubChem CID 115973599) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
PubChem CID115973599
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol
SMILESC=C(C)COCCNC(C)CCCO
InChIInChI=1S/C11H23NO2/c1-10(2)9-14-8-6-12-11(3)5-4-7-13/h11-13H,1,4-9H2,2-3H3
InChIKeyDVPFHLIEVVDQRK-UHFFFAOYSA-N
XLogP1.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.33
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

(E)-2-methyl-4-(oxan-3-ylamino)but-2-en-1-ol
CID 173530609
(Z)-2-methyl-4-(oxan-3-ylamino)but-2-en-1-ol
CID 173530615
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 102731768
trans-(1S,2S)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 102731769
trans-(1S,2S)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734199
trans-(1R,2R)-2-[2-(2-methylprop-2-enoxy)ethylamino]cyclopentan-1-ol
CID 102734200
5-methoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]pentane-1,4-diamine
CID 103391180
4-[2-(2-Methylprop-2-enoxy)ethylamino]cyclohexan-1-ol
CID 106595271
6-[2-(2-Methylprop-2-enoxy)ethylamino]hexan-1-ol
CID 107703679
2-Methyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114465923
2-Ethyl-2-[[2-(2-methylprop-2-enoxy)ethylamino]methyl]butan-1-ol
CID 114466016
N-[2-(2-methylprop-2-enoxy)ethyl]-1-morpholin-3-ylpropan-2-amine
CID 114466085

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
The IUPAC name of 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol (CID 115973599) is 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
The canonical SMILES for 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol is C=C(C)COCCNC(C)CCCO.
What is the InChIKey of 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
The InChIKey is DVPFHLIEVVDQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-10(2)9-14-8-6-12-11(3)5-4-7-13/h11-13H,1,4-9H2,2-3H3.
What are the key properties of 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol?
4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol has a molecular weight of 201.31 g/mol, XLogP of 1.33, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylprop-2-enoxy)ethylamino]pentan-1-ol is sourced from PubChem (CID 115973599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).