1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol

C10H21NO2 — CID 66038780

IUPAC1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol
SMILESC=C(CC)CN(C)CC(O)COC
InChIInChI=1S/C10H21NO2/c1-5-9(2)6-11(3)7-10(12)8-13-4/h10,12H,2,5-8H2,1,3-4H3
InChIKeyZUSJRDLNRMIIPL-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.89
Rot. Bonds7

About 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol

1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol (PubChem CID 66038780) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol
PubChem CID66038780
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol
SMILESC=C(CC)CN(C)CC(O)COC
InChIInChI=1S/C10H21NO2/c1-5-9(2)6-11(3)7-10(12)8-13-4/h10,12H,2,5-8H2,1,3-4H3
InChIKeyZUSJRDLNRMIIPL-UHFFFAOYSA-N
XLogP0.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.89
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-hydroxy-3-methoxypropyl)-methylamino]pentan-2-one
CID 62041400
1-[(3-chloro-2-methylprop-2-enyl)-methylamino]-3-methoxypropan-2-ol
CID 106439852
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
1-[3-(dimethylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 63928362
1-methoxy-3-[methyl(2,2,2-trifluoroethyl)amino]propan-2-ol
CID 62015935
2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]-methylamino]acetic acid
CID 106991340
1-[3-fluoropropyl(methyl)amino]-3-methoxypropan-2-ol
CID 81113554
2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile
CID 66043790
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
1-[[2-(aminomethyl)-2-methylbutyl]-methylamino]-3-methoxypropan-2-ol
CID 62270239
1-[ethyl(methyl)amino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991712

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol (CID 66038780) is 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol is C=C(CC)CN(C)CC(O)COC.
What is the InChIKey of 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol?
The InChIKey is ZUSJRDLNRMIIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(2)6-11(3)7-10(12)8-13-4/h10,12H,2,5-8H2,1,3-4H3.
What are the key properties of 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol?
1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol has a molecular weight of 187.28 g/mol, XLogP of 0.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(2-methylidenebutyl)amino]propan-2-ol is sourced from PubChem (CID 66038780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).