1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol

C11H23NO2 — CID 90250583

IUPAC1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
SMILESC=CCCN(CCC)CC(O)COC
InChIInChI=1S/C11H23NO2/c1-4-6-8-12(7-5-2)9-11(13)10-14-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyUNLQUMZROCSHNR-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.28
Rot. Bonds9

About 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol

1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol (PubChem CID 90250583) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
PubChem CID90250583
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol
SMILESC=CCCN(CCC)CC(O)COC
InChIInChI=1S/C11H23NO2/c1-4-6-8-12(7-5-2)9-11(13)10-14-3/h4,11,13H,1,5-10H2,2-3H3
InChIKeyUNLQUMZROCSHNR-UHFFFAOYSA-N
XLogP1.28
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(dimethylamino)ethyl-propylamino]-3-methoxypropan-2-ol
CID 63929215
1-[(dimethylamino)methyl-propylamino]-3-methoxypropan-2-ol
CID 123595558
1-[bis(2-phosphanyloxyethyl)amino]-3-methoxypropan-2-ol
CID 54197886
1-[(3-amino-2,2-dimethylpropyl)-propylamino]-3-methoxypropan-2-ol
CID 79661527
1-(dipropylamino)-3-propan-2-yloxypropan-2-ol
CID 60634039
(2S)-1-[(4-methoxyphenyl)methyl-propylamino]hex-5-en-2-ol
CID 93160609
1-[bis(2-hydroxyethyl)amino]-3-[2-(but-3-enoxymethyl)-2-[2-(ethenoxymethoxy)ethoxymethyl]butoxy]propan-2-ol
CID 88981124
2-methyl-N,N-dipropylhex-5-en-1-amine
CID 143366711
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
1-methoxy-3-(oct-7-en-4-ylamino)propan-2-ol
CID 115721276
N-but-3-enyl-2,2-dimethyl-N-propylpropan-1-amine;ethane
CID 176957810
1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779

Frequently Asked Questions

What is the IUPAC name of 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol (CID 90250583) is 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol is C=CCCN(CCC)CC(O)COC.
What is the InChIKey of 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol?
The InChIKey is UNLQUMZROCSHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-12(7-5-2)9-11(13)10-14-3/h4,11,13H,1,5-10H2,2-3H3.
What are the key properties of 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol?
1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.28, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[but-3-enyl(propyl)amino]-3-methoxypropan-2-ol is sourced from PubChem (CID 90250583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).