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

C14H25N3 — CID 103070162

IUPAC3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile
SMILESC=C(CNC1CC1)CN(CCC#N)CC(C)C
InChIInChI=1S/C14H25N3/c1-12(2)10-17(8-4-7-15)11-13(3)9-16-14-5-6-14/h12,14,16H,3-6,8-11H2,1-2H3
InChIKeyBLSNPWNSTKSIIS-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.17
Rot. Bonds9

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

3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile (PubChem CID 103070162) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile
PubChem CID103070162
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile
SMILESC=C(CNC1CC1)CN(CCC#N)CC(C)C
InChIInChI=1S/C14H25N3/c1-12(2)10-17(8-4-7-15)11-13(3)9-16-14-5-6-14/h12,14,16H,3-6,8-11H2,1-2H3
InChIKeyBLSNPWNSTKSIIS-UHFFFAOYSA-N
XLogP2.17
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methoxyethyl)amino]propanenitrile
CID 103070598
N-cyclopropyl-N'-(2-methoxyethyl)-2-methylidene-N'-(2-methylpropyl)propane-1,3-diamine
CID 103069901
N-cyclopropyl-2-methylidene-N',N'-dipropylpropane-1,3-diamine
CID 103068881
N-butan-2-yl-N'-cyclopropyl-N-ethyl-2-methylidenepropane-1,3-diamine
CID 103069214
N-tert-butyl-2-[2-cyanoethyl(2-methylpropyl)amino]acetamide
CID 54940342
5-[2-cyanoethyl(2-methylpropyl)amino]pentanenitrile
CID 55028946
N-cyclopropyl-N',N'-bis(2-methylpropyl)ethane-1,2-diamine
CID 61378678
N-butan-2-yl-N'-cyclopropyl-N-(2-methoxyethyl)-2-methylidenepropane-1,3-diamine
CID 103070042
3-[2-methylpropyl-(2-oxo-2-piperidin-1-ylethyl)amino]propanenitrile
CID 54940259
3-[2-methylpropyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]propanenitrile
CID 63900625
2-[3-cyanopropyl(2-methylpropyl)amino]acetamide
CID 60969371
2-cyclopropyl-2-(cyclopropylamino)-3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanenitrile
CID 63912235

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile (CID 103070162) is 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile is C=C(CNC1CC1)CN(CCC#N)CC(C)C.
What is the InChIKey of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile?
The InChIKey is BLSNPWNSTKSIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)10-17(8-4-7-15)11-13(3)9-16-14-5-6-14/h12,14,16H,3-6,8-11H2,1-2H3.
What are the key properties of 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile?
3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile has a molecular weight of 235.37 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 103070162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).