1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol

C13H28N2O2 — CID 114184079

IUPAC1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
SMILESC=CCCOCCNCC(O)CN(CC)CC
InChIInChI=1S/C13H28N2O2/c1-4-7-9-17-10-8-14-11-13(16)12-15(5-2)6-3/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeyJYARPIUHKJYTLJ-UHFFFAOYSA-N
MW244.38 g/mol
LogP0.87
Rot. Bonds12

About 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol

1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol (PubChem CID 114184079) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
PubChem CID114184079
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol
SMILESC=CCCOCCNCC(O)CN(CC)CC
InChIInChI=1S/C13H28N2O2/c1-4-7-9-17-10-8-14-11-13(16)12-15(5-2)6-3/h4,13-14,16H,1,5-12H2,2-3H3
InChIKeyJYARPIUHKJYTLJ-UHFFFAOYSA-N
XLogP0.87
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2-but-3-enoxyethyl)-2,2-diethoxyethanamine
CID 106401321
N-(2-but-3-enoxyethyl)-2,2-difluoroethanamine
CID 106401641
1-[2-ethoxyethyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 113317594
1-(diethylamino)-3-[2-[methyl(propan-2-yl)amino]ethylamino]propan-2-ol
CID 62641033
methyl 3-(2-but-3-enoxyethylamino)-2-methylpropanoate
CID 106401667
1-[butyl(ethyl)amino]-3-(2-methoxyethylamino)propan-2-ol
CID 115474821
1-(2-but-3-enoxyethylamino)-3-(3-ethylphenoxy)propan-2-ol
CID 106401529
N-(2-but-3-enoxyethyl)-2-butoxyethanamine
CID 62598699
1-(diethylamino)-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226974
1-(diethylamino)-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045494
2-acetamido-3-(2-but-3-enoxyethylamino)propanoic acid
CID 106402035
1-(diethylamino)-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60710703

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol?
The IUPAC name of 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol (CID 114184079) is 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol.
What is the SMILES notation for 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol?
The canonical SMILES for 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol is C=CCCOCCNCC(O)CN(CC)CC.
What is the InChIKey of 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol?
The InChIKey is JYARPIUHKJYTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-7-9-17-10-8-14-11-13(16)12-15(5-2)6-3/h4,13-14,16H,1,5-12H2,2-3H3.
What are the key properties of 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol?
1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol has a molecular weight of 244.38 g/mol, XLogP of 0.87, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethylamino)-3-(diethylamino)propan-2-ol is sourced from PubChem (CID 114184079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).