3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile

C11H23N3O — CID 115474840

IUPAC3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile
SMILESCC(C)CNCC(O)CN(C)CCC#N
InChIInChI=1S/C11H23N3O/c1-10(2)7-13-8-11(15)9-14(3)6-4-5-12/h10-11,13,15H,4,6-9H2,1-3H3
InChIKeyAZODWGXPPTVFHL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.44
Rot. Bonds8

About 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile

3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile (PubChem CID 115474840) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile
PubChem CID115474840
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile
SMILESCC(C)CNCC(O)CN(C)CCC#N
InChIInChI=1S/C11H23N3O/c1-10(2)7-13-8-11(15)9-14(3)6-4-5-12/h10-11,13,15H,4,6-9H2,1-3H3
InChIKeyAZODWGXPPTVFHL-UHFFFAOYSA-N
XLogP0.44
TPSA59.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 115475408
1-[methyl(2-methylbutyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474908
3-[[2-hydroxy-3-(2-methoxyethylamino)propyl]-(2-methylpropyl)amino]propanenitrile
CID 113317541
3-[methyl(4-methylpentyl)amino]propanenitrile
CID 83156286
3-[[2-(bromomethyl)-3-methylbutyl]-methylamino]propanenitrile
CID 65011723
1-(methylamino)-3-[methyl(3-methylbutyl)amino]propan-2-ol
CID 61429791
1-[ethyl(2-methylpropyl)amino]-3-(2-methylpropylamino)propan-2-ol
CID 115474899
N-(2-cyanoethyl)-N-methyl-3-[methyl(2-methylpropyl)amino]propanamide
CID 43289053
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218
1-[methyl-[(2-methylfuran-3-yl)methyl]amino]-3-(2-methylpropylamino)propan-2-ol
CID 113317475
1-[butyl(methyl)amino]-3-(propylamino)propan-2-ol
CID 43165832
2-amino-3-[2-cyanoethyl(methyl)amino]propanoic acid
CID 65444022

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile?
The IUPAC name of 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile (CID 115474840) is 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile.
What is the SMILES notation for 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile?
The canonical SMILES for 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile is CC(C)CNCC(O)CN(C)CCC#N.
What is the InChIKey of 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile?
The InChIKey is AZODWGXPPTVFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-10(2)7-13-8-11(15)9-14(3)6-4-5-12/h10-11,13,15H,4,6-9H2,1-3H3.
What are the key properties of 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile?
3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile has a molecular weight of 213.32 g/mol, XLogP of 0.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(2-methylpropylamino)propyl]-methylamino]propanenitrile is sourced from PubChem (CID 115474840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).