4-(3-morpholin-4-ylpropylamino)butanenitrile

C11H21N3O — CID 43236907

IUPAC4-(3-morpholin-4-ylpropylamino)butanenitrile
SMILESN#CCCCNCCCN1CCOCC1
InChIInChI=1S/C11H21N3O/c12-4-1-2-5-13-6-3-7-14-8-10-15-11-9-14/h13H,1-3,5-11H2
InChIKeyNATMWYUOCZBBDP-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.60
Rot. Bonds7

About 4-(3-morpholin-4-ylpropylamino)butanenitrile

4-(3-morpholin-4-ylpropylamino)butanenitrile (PubChem CID 43236907) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(3-morpholin-4-ylpropylamino)butanenitrile.

Molecular Properties

Compound Name4-(3-morpholin-4-ylpropylamino)butanenitrile
PubChem CID43236907
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-(3-morpholin-4-ylpropylamino)butanenitrile
SMILESN#CCCCNCCCN1CCOCC1
InChIInChI=1S/C11H21N3O/c12-4-1-2-5-13-6-3-7-14-8-10-15-11-9-14/h13H,1-3,5-11H2
InChIKeyNATMWYUOCZBBDP-UHFFFAOYSA-N
XLogP0.60
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-morpholin-4-ylpropyl)but-2-yn-1-amine
CID 62309941
5-(3-morpholin-4-ylpropylamino)pentan-1-ol
CID 62227528
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
2-(2-morpholin-4-ylethylamino)acetonitrile
CID 28583059
1-[(3-morpholin-4-ylpropylamino)methyl]cyclohexan-1-ol
CID 60899322
4-[(3-morpholin-4-ylpropylamino)methyl]benzonitrile
CID 28672523
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718
1-morpholin-4-yl-2-(3-morpholin-4-ylpropylamino)ethanone
CID 43091152
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
5-[(3-morpholin-4-ylpropylamino)methyl]thiophene-2-carbonitrile
CID 115675326
2-methyl-1-(3-morpholin-4-ylpropylamino)propan-2-ol
CID 60886953

Frequently Asked Questions

What is the IUPAC name of 4-(3-morpholin-4-ylpropylamino)butanenitrile?
The IUPAC name of 4-(3-morpholin-4-ylpropylamino)butanenitrile (CID 43236907) is 4-(3-morpholin-4-ylpropylamino)butanenitrile.
What is the SMILES notation for 4-(3-morpholin-4-ylpropylamino)butanenitrile?
The canonical SMILES for 4-(3-morpholin-4-ylpropylamino)butanenitrile is N#CCCCNCCCN1CCOCC1.
What is the InChIKey of 4-(3-morpholin-4-ylpropylamino)butanenitrile?
The InChIKey is NATMWYUOCZBBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-4-1-2-5-13-6-3-7-14-8-10-15-11-9-14/h13H,1-3,5-11H2.
What are the key properties of 4-(3-morpholin-4-ylpropylamino)butanenitrile?
4-(3-morpholin-4-ylpropylamino)butanenitrile has a molecular weight of 211.31 g/mol, XLogP of 0.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-morpholin-4-ylpropylamino)butanenitrile is sourced from PubChem (CID 43236907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).