4-(2-but-3-enoxyethylamino)butan-2-ol

C10H21NO2 — CID 106401439

IUPAC4-(2-but-3-enoxyethylamino)butan-2-ol
SMILESC=CCCOCCNCCC(C)O
InChIInChI=1S/C10H21NO2/c1-3-4-8-13-9-7-11-6-5-10(2)12/h3,10-12H,1,4-9H2,2H3
InChIKeyKVUYFWPXNRYMEV-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds9

About 4-(2-but-3-enoxyethylamino)butan-2-ol

4-(2-but-3-enoxyethylamino)butan-2-ol (PubChem CID 106401439) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 4-(2-but-3-enoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name4-(2-but-3-enoxyethylamino)butan-2-ol
PubChem CID106401439
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name4-(2-but-3-enoxyethylamino)butan-2-ol
SMILESC=CCCOCCNCCC(C)O
InChIInChI=1S/C10H21NO2/c1-3-4-8-13-9-7-11-6-5-10(2)12/h3,10-12H,1,4-9H2,2H3
InChIKeyKVUYFWPXNRYMEV-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.94
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

(2R,3S)-1-(propylamino)pent-4-ene-2,3-diol
CID 135040211
3-(2-But-3-enoxyethylamino)-1,1,1-trifluoropropan-2-ol
CID 106401410
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
1-(Ethylamino)pent-4-en-2-ol
CID 79735617
1-(2-Hydroxyethylamino)pent-4-en-2-ol
CID 87532926
Ethanol;1-(methylamino)pent-4-en-2-ol
CID 88659962
1-(Pentylamino)pent-4-en-2-ol
CID 89762074
1-[2-[2-[2-(2-Hydroxybut-3-enylamino)ethoxy]ethoxy]ethylamino]butan-2-ol
CID 91024660
1-(3-Methoxypropylamino)but-3-en-1-ol
CID 121330217
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
3-[2-(Pent-4-enylamino)ethoxy]propan-1-ol
CID 153618181
4-[[3-(But-3-enylamino)-2-hydroxypropyl]amino]-1-ethoxybutan-2-ol
CID 156545464

Frequently Asked Questions

What is the IUPAC name of 4-(2-but-3-enoxyethylamino)butan-2-ol?
The IUPAC name of 4-(2-but-3-enoxyethylamino)butan-2-ol (CID 106401439) is 4-(2-but-3-enoxyethylamino)butan-2-ol.
What is the SMILES notation for 4-(2-but-3-enoxyethylamino)butan-2-ol?
The canonical SMILES for 4-(2-but-3-enoxyethylamino)butan-2-ol is C=CCCOCCNCCC(C)O.
What is the InChIKey of 4-(2-but-3-enoxyethylamino)butan-2-ol?
The InChIKey is KVUYFWPXNRYMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-4-8-13-9-7-11-6-5-10(2)12/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 4-(2-but-3-enoxyethylamino)butan-2-ol?
4-(2-but-3-enoxyethylamino)butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-but-3-enoxyethylamino)butan-2-ol is sourced from PubChem (CID 106401439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).