3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol

C8H17NO2 — CID 106190545

IUPAC3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol
SMILESC=C(C)CNC(CO)COC
InChIInChI=1S/C8H17NO2/c1-7(2)4-9-8(5-10)6-11-3/h8-10H,1,4-6H2,2-3H3
InChIKeyCOCXNRDSFYSXDJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.16
Rot. Bonds6

About 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol

3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol (PubChem CID 106190545) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol
PubChem CID106190545
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol
SMILESC=C(C)CNC(CO)COC
InChIInChI=1S/C8H17NO2/c1-7(2)4-9-8(5-10)6-11-3/h8-10H,1,4-6H2,2-3H3
InChIKeyCOCXNRDSFYSXDJ-UHFFFAOYSA-N
XLogP0.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Methylprop-2-enylamino)butan-1-ol
CID 60686994
2-[(1-Hydroxy-2-methylprop-2-enyl)amino]butan-1-ol
CID 139476349
1-[2-(2-Aminoethoxy)ethylamino]-2-methylprop-2-en-1-ol
CID 145112170
(2S)-2-(2-methylprop-2-enylamino)propan-1-ol
CID 166896765
Bis(2-methylprop-1-ene);2-(pentylamino)propane-1,3-diol
CID 174963248
(2S)-2-(3-methylbut-2-enylamino)propan-1-ol
CID 55300374
N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 60688533
2-Methyl-2-(2-methylprop-2-enylamino)propan-1-ol
CID 62331326
2-(2-Methylprop-2-enylamino)propan-1-ol
CID 62331327
N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 62331544
2-(Butan-2-ylamino)-3-methoxy-2-methylpropan-1-ol
CID 62536849
1-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
CID 64411750

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol?
The IUPAC name of 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol (CID 106190545) is 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol?
The canonical SMILES for 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol is C=C(C)CNC(CO)COC.
What is the InChIKey of 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol?
The InChIKey is COCXNRDSFYSXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(2)4-9-8(5-10)6-11-3/h8-10H,1,4-6H2,2-3H3.
What are the key properties of 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol?
3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol has a molecular weight of 159.23 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylprop-2-enylamino)propan-1-ol is sourced from PubChem (CID 106190545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).