3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile

C9H17ClN2O — CID 63285655

IUPAC3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCCl
InChIInChI=1S/C9H17ClN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-4,6-9H2,1H3
InChIKeyMIQBWKVLYJOSKK-UHFFFAOYSA-N
MW204.70 g/mol
LogP1.48
Rot. Bonds8

About 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile

3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile (PubChem CID 63285655) has the molecular formula C9H17ClN2O and a molecular weight of 204.70 g/mol. Its IUPAC name is 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
PubChem CID63285655
Molecular FormulaC9H17ClN2O
Molecular Weight204.70 g/mol
Exact Mass204.10
IUPAC Name3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
SMILESCOCCN(CCC#N)CCCCl
InChIInChI=1S/C9H17ClN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-4,6-9H2,1H3
InChIKeyMIQBWKVLYJOSKK-UHFFFAOYSA-N
XLogP1.48
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.70
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
CID 115513918
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
5-chloro-N,N-bis(2-methoxyethyl)pentan-1-amine
CID 61418354
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63285977
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
3-[(2,6-dichloro-4-pyridinyl)methyl-(2-methoxyethyl)amino]propanenitrile
CID 71986659
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562
3-[2-methoxyethyl(2-phenylethyl)amino]propanenitrile
CID 62050074
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484

Frequently Asked Questions

What is the IUPAC name of 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile?
The IUPAC name of 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile (CID 63285655) is 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile.
What is the SMILES notation for 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile?
The canonical SMILES for 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile is COCCN(CCC#N)CCCCl.
What is the InChIKey of 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile?
The InChIKey is MIQBWKVLYJOSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17ClN2O/c1-13-9-8-12(6-2-4-10)7-3-5-11/h2-4,6-9H2,1H3.
What are the key properties of 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile?
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile has a molecular weight of 204.70 g/mol, XLogP of 1.48, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile is sourced from PubChem (CID 63285655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).