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

C10H21NO2 — CID 106401424

IUPAC3-(2-but-3-enoxyethylamino)butan-2-ol
SMILESC=CCCOCCNC(C)C(C)O
InChIInChI=1S/C10H21NO2/c1-4-5-7-13-8-6-11-9(2)10(3)12/h4,9-12H,1,5-8H2,2-3H3
InChIKeyKNWUACNTCFXJTK-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds8

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

3-(2-but-3-enoxyethylamino)butan-2-ol (PubChem CID 106401424) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(2-but-3-enoxyethylamino)butan-2-ol.

Molecular Properties

Compound Name3-(2-but-3-enoxyethylamino)butan-2-ol
PubChem CID106401424
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(2-but-3-enoxyethylamino)butan-2-ol
SMILESC=CCCOCCNC(C)C(C)O
InChIInChI=1S/C10H21NO2/c1-4-5-7-13-8-6-11-9(2)10(3)12/h4,9-12H,1,5-8H2,2-3H3
InChIKeyKNWUACNTCFXJTK-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
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

3-(2-but-3-enoxyethylamino)butanamide
CID 115896708
N-(2-but-3-enoxyethyl)-4-methoxybutan-2-amine
CID 103852873
methyl 3-(2-but-3-enoxyethylamino)butanoate
CID 103952227
2-(2-but-3-enoxyethylamino)-N,N-diethylpropanamide
CID 103852838
ethyl 3-(2-but-3-enoxyethylamino)butanoate
CID 106401724
(2R)-2-amino-N-(2-but-3-enoxyethyl)propanamide
CID 106398122
N-(2-but-3-enoxyethyl)-1-methoxybutan-2-amine
CID 103905015
N-(2-but-3-enoxyethyl)-1-pyridin-4-ylethanamine
CID 103852827
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
N-(2-but-3-enoxyethyl)-2-methyl-3-(methylamino)propanamide
CID 106398280
3-(3-butoxypropylamino)butan-2-ol
CID 115687601
2-[1-(2-but-3-enoxyethylamino)ethyl]benzene-1,4-diol
CID 114183605

Frequently Asked Questions

What is the IUPAC name of 3-(2-but-3-enoxyethylamino)butan-2-ol?
The IUPAC name of 3-(2-but-3-enoxyethylamino)butan-2-ol (CID 106401424) is 3-(2-but-3-enoxyethylamino)butan-2-ol.
What is the SMILES notation for 3-(2-but-3-enoxyethylamino)butan-2-ol?
The canonical SMILES for 3-(2-but-3-enoxyethylamino)butan-2-ol is C=CCCOCCNC(C)C(C)O.
What is the InChIKey of 3-(2-but-3-enoxyethylamino)butan-2-ol?
The InChIKey is KNWUACNTCFXJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-7-13-8-6-11-9(2)10(3)12/h4,9-12H,1,5-8H2,2-3H3.
What are the key properties of 3-(2-but-3-enoxyethylamino)butan-2-ol?
3-(2-but-3-enoxyethylamino)butan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-but-3-enoxyethylamino)butan-2-ol is sourced from PubChem (CID 106401424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).