1-butoxy-3-(prop-2-enylamino)propan-2-ol

C10H21NO2 — CID 107262418

IUPAC1-butoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COCCCC
InChIInChI=1S/C10H21NO2/c1-3-5-7-13-9-10(12)8-11-6-4-2/h4,10-12H,2-3,5-9H2,1H3
InChIKeyOOFGWWVDQHTUAT-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.94
Rot. Bonds9

About 1-butoxy-3-(prop-2-enylamino)propan-2-ol

1-butoxy-3-(prop-2-enylamino)propan-2-ol (PubChem CID 107262418) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-butoxy-3-(prop-2-enylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(prop-2-enylamino)propan-2-ol
PubChem CID107262418
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-butoxy-3-(prop-2-enylamino)propan-2-ol
SMILESC=CCNCC(O)COCCCC
InChIInChI=1S/C10H21NO2/c1-3-5-7-13-9-10(12)8-11-6-4-2/h4,10-12H,2-3,5-9H2,1H3
InChIKeyOOFGWWVDQHTUAT-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

1-(2-methoxyethoxy)-3-(prop-2-enylamino)propan-2-ol
CID 106988982
1-butoxy-3-(2-prop-2-enylsulfanylethylamino)propan-2-ol
CID 106427537
4-[(3-butoxy-2-hydroxypropyl)amino]butan-1-ol
CID 107263164
(2R)-1-(2-aminoethylamino)-3-butoxypropan-2-ol
CID 92574092
1-(2-butoxyethoxy)-3-(2-butoxyethylamino)propan-2-ol
CID 61171086
(2R)-1-[2-[[(2S)-2-hydroxy-3-pentoxypropyl]amino]ethylamino]-3-pentoxypropan-2-ol
CID 92765334
1-pentoxy-3-(propylamino)propan-2-ol
CID 43275105
4-[(3-butoxy-2-hydroxypropyl)amino]-1-methoxybutan-2-ol
CID 106246483
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
3-[3-(prop-2-enylamino)propoxy]propane-1,2-diol
CID 175381048
2-[(3-butoxy-2-hydroxypropyl)amino]ethylphosphonic acid
CID 175621225
1-hexadecoxy-3-prop-2-enoxypropan-2-ol
CID 86103577

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(prop-2-enylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(prop-2-enylamino)propan-2-ol (CID 107262418) is 1-butoxy-3-(prop-2-enylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(prop-2-enylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(prop-2-enylamino)propan-2-ol is C=CCNCC(O)COCCCC.
What is the InChIKey of 1-butoxy-3-(prop-2-enylamino)propan-2-ol?
The InChIKey is OOFGWWVDQHTUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-3-5-7-13-9-10(12)8-11-6-4-2/h4,10-12H,2-3,5-9H2,1H3.
What are the key properties of 1-butoxy-3-(prop-2-enylamino)propan-2-ol?
1-butoxy-3-(prop-2-enylamino)propan-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 1-butoxy-3-(prop-2-enylamino)propan-2-ol is sourced from PubChem (CID 107262418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).