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

C15H32N2O2 — CID 62270951

IUPAC1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol
SMILESCCC(CC)(CNC1CC1)CN(C)CC(O)COC
InChIInChI=1S/C15H32N2O2/c1-5-15(6-2,11-16-13-7-8-13)12-17(3)9-14(18)10-19-4/h13-14,16,18H,5-12H2,1-4H3
InChIKeyNQWYSTCOSDYSSC-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.48
Rot. Bonds11

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

1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol (PubChem CID 62270951) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol
PubChem CID62270951
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC Name1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol
SMILESCCC(CC)(CNC1CC1)CN(C)CC(O)COC
InChIInChI=1S/C15H32N2O2/c1-5-15(6-2,11-16-13-7-8-13)12-17(3)9-14(18)10-19-4/h13-14,16,18H,5-12H2,1-4H3
InChIKeyNQWYSTCOSDYSSC-UHFFFAOYSA-N
XLogP1.48
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol (CID 62270951) is 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol is CCC(CC)(CNC1CC1)CN(C)CC(O)COC.
What is the InChIKey of 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol?
The InChIKey is NQWYSTCOSDYSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-15(6-2,11-16-13-7-8-13)12-17(3)9-14(18)10-19-4/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol?
1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol has a molecular weight of 272.43 g/mol, XLogP of 1.48, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 62270951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).