3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile

C12H23N3O — CID 63285977

IUPAC3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCNC1CC1
InChIInChI=1S/C12H23N3O/c1-16-11-10-15(8-2-6-13)9-3-7-14-12-4-5-12/h12,14H,2-5,7-11H2,1H3
InChIKeyRFXZHQZAZSQLFX-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.99
Rot. Bonds10

About 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile

3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile (PubChem CID 63285977) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
PubChem CID63285977
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCNC1CC1
InChIInChI=1S/C12H23N3O/c1-16-11-10-15(8-2-6-13)9-3-7-14-12-4-5-12/h12,14H,2-5,7-11H2,1H3
InChIKeyRFXZHQZAZSQLFX-UHFFFAOYSA-N
XLogP0.99
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.99
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

3-[2-[(cyclopropylamino)methyl]prop-2-enyl-(2-methoxyethyl)amino]propanenitrile
CID 103070598
3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
N-cyclohexyl-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 62575118
N-cyclopropyl-N'-ethyl-N'-(2-methoxyethyl)ethane-1,2-diamine
CID 61446699
3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
CID 115513918
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
1-N-cyclopropyl-4-N,4-N-bis(2-methoxyethyl)pentane-1,4-diamine
CID 62462661

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile (CID 63285977) is 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CCCNC1CC1.
What is the InChIKey of 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
The InChIKey is RFXZHQZAZSQLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-16-11-10-15(8-2-6-13)9-3-7-14-12-4-5-12/h12,14H,2-5,7-11H2,1H3.
What are the key properties of 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile?
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile has a molecular weight of 225.34 g/mol, XLogP of 0.99, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63285977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).