1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol

C11H23NO — CID 106285355

IUPAC1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol
SMILESC=CC(C)NCC(O)C(CC)CC
InChIInChI=1S/C11H23NO/c1-5-9(4)12-8-11(13)10(6-2)7-3/h5,9-13H,1,6-8H2,2-4H3
InChIKeyLILPNYVQFSYNTL-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.95
Rot. Bonds7

About 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol

1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol (PubChem CID 106285355) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol.

Molecular Properties

Compound Name1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol
PubChem CID106285355
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol
SMILESC=CC(C)NCC(O)C(CC)CC
InChIInChI=1S/C11H23NO/c1-5-9(4)12-8-11(13)10(6-2)7-3/h5,9-13H,1,6-8H2,2-4H3
InChIKeyLILPNYVQFSYNTL-UHFFFAOYSA-N
XLogP1.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-3-en-2-yl-2-methylpropan-1-amine
CID 115876759
ethyl 4-(but-3-en-2-ylamino)-3-hydroxybutanoate
CID 103264908
N-ethyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 106286124
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
1-(2-bromoprop-2-enylamino)-3-ethylpentan-2-ol
CID 106286228
N-(2-methylsulfanylpropyl)but-3-en-2-amine
CID 107907984
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethylamino]-3-ethylpentan-2-ol
CID 113261392
1-(but-3-en-2-ylamino)-3-cyclopentylpropan-2-ol
CID 103158328
1-(tert-butylamino)-3-ethylpentan-2-ol
CID 62775304
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386
N-cyclopropyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168417
methyl 2-bromo-3-(but-3-en-2-ylamino)propanoate
CID 103264917

Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol?
The IUPAC name of 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol (CID 106285355) is 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol.
What is the SMILES notation for 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol?
The canonical SMILES for 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol is C=CC(C)NCC(O)C(CC)CC.
What is the InChIKey of 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol?
The InChIKey is LILPNYVQFSYNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-9(4)12-8-11(13)10(6-2)7-3/h5,9-13H,1,6-8H2,2-4H3.
What are the key properties of 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol?
1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylamino)-3-ethylpentan-2-ol is sourced from PubChem (CID 106285355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).