3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile

C13H23N3O — CID 103070598

IUPAC3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
SMILESC=C(CNC1CC1)CN(CCC#N)CCOC
InChIInChI=1S/C13H23N3O/c1-12(10-15-13-4-5-13)11-16(7-3-6-14)8-9-17-2/h13,15H,1,3-5,7-11H2,2H3
InChIKeyWUVDSAWLVYYICT-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.16
Rot. Bonds10

About 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile

3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile (PubChem CID 103070598) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
PubChem CID103070598
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
SMILESC=C(CNC1CC1)CN(CCC#N)CCOC
InChIInChI=1S/C13H23N3O/c1-12(10-15-13-4-5-13)11-16(7-3-6-14)8-9-17-2/h13,15H,1,3-5,7-11H2,2H3
InChIKeyWUVDSAWLVYYICT-UHFFFAOYSA-N
XLogP1.16
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile
CID 103070162
N-cyclopropyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
CID 103069901
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63285977
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
CID 103070042
N-[2-(2-methoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074416
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile (CID 103070598) is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile is C=C(CNC1CC1)CN(CCC#N)CCOC.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is WUVDSAWLVYYICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12(10-15-13-4-5-13)11-16(7-3-6-14)8-9-17-2/h13,15H,1,3-5,7-11H2,2H3.
What are the key properties of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile?
3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 237.35 g/mol, XLogP of 1.16, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 103070598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).