1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol

C12H24N2O2 — CID 103069988

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol
SMILESC=C(CNC1CC1)CN(C)CC(O)COC
InChIInChI=1S/C12H24N2O2/c1-10(6-13-11-4-5-11)7-14(2)8-12(15)9-16-3/h11-13,15H,1,4-9H2,2-3H3
InChIKeyOJUKNNXOOMFCSP-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.23
Rot. Bonds9

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol

1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol (PubChem CID 103069988) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol
PubChem CID103069988
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol
SMILESC=C(CNC1CC1)CN(C)CC(O)COC
InChIInChI=1S/C12H24N2O2/c1-10(6-13-11-4-5-11)7-14(2)8-12(15)9-16-3/h11-13,15H,1,4-9H2,2-3H3
InChIKeyOJUKNNXOOMFCSP-UHFFFAOYSA-N
XLogP0.23
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(Cyclopropylamino)propyl-methylamino]-3-methoxypropan-2-ol
CID 61584511
1-[[3-(Cyclopropylamino)-2,2-dimethylpropyl]-methylamino]-3-methoxypropan-2-ol
CID 62270596
1-[[3-(Cyclopropylamino)-2-methylpropyl]-methylamino]-3-methoxypropan-2-ol
CID 64230957
1-Methoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 64286769
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-ethylamino]ethanol
CID 103069514
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-methylamino]ethanol
CID 103069521
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-(2-hydroxyethyl)amino]ethanol
CID 103069562
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-propylamino]ethanol
CID 103069702
2-[2-[(Cyclopropylamino)methyl]prop-2-enyl-propan-2-ylamino]ethanol
CID 103069969
2-[Cyclopropyl-[2-[(propan-2-ylamino)methyl]prop-2-enyl]amino]ethanol
CID 103069971
2-[Cyclopropyl-[2-(ethylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069972
2-[Cyclopropyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069975

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol (CID 103069988) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol is C=C(CNC1CC1)CN(C)CC(O)COC.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol?
The InChIKey is OJUKNNXOOMFCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-10(6-13-11-4-5-11)7-14(2)8-12(15)9-16-3/h11-13,15H,1,4-9H2,2-3H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol has a molecular weight of 228.34 g/mol, XLogP of 0.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 103069988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).