3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile

C10H17N3O — CID 22497852

IUPAC3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
SMILESCOCCCN(CCC#N)CCC#N
InChIInChI=1S/C10H17N3O/c1-14-10-4-9-13(7-2-5-11)8-3-6-12/h2-4,7-10H2,1H3
InChIKeyLAJRPDPBANRROM-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.15
Rot. Bonds8

About 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile

3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile (PubChem CID 22497852) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
PubChem CID22497852
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
SMILESCOCCCN(CCC#N)CCC#N
InChIInChI=1S/C10H17N3O/c1-14-10-4-9-13(7-2-5-11)8-3-6-12/h2-4,7-10H2,1H3
InChIKeyLAJRPDPBANRROM-UHFFFAOYSA-N
XLogP1.15
TPSA60.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
CID 115513918
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63285977
ethane;3-methoxypropanenitrile
CID 142187534
N-(3-methoxypropyl)-N-propylbutan-1-amine
CID 148527090
3-[3-[3-[3-[3-[3-[bis[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-[3-[bis[3-(2-cyanoethoxy)propyl]amino]propoxy]propyl]amino]propoxy]propyl-[3-(2-cyanoethoxy)propyl]amino]propoxy]propanenitrile
CID 11320859
3-[2-cyanoethyl(hexyl)amino]propanenitrile
CID 16733110
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
3-methoxypropanenitrile
CID 161061289
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile?
The IUPAC name of 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile (CID 22497852) is 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile.
What is the SMILES notation for 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile?
The canonical SMILES for 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile is COCCCN(CCC#N)CCC#N.
What is the InChIKey of 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile?
The InChIKey is LAJRPDPBANRROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-14-10-4-9-13(7-2-5-11)8-3-6-12/h2-4,7-10H2,1H3.
What are the key properties of 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile?
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile has a molecular weight of 195.27 g/mol, XLogP of 1.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile is sourced from PubChem (CID 22497852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).