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

C10H21N3O — CID 63286067

IUPAC3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile
SMILESCNCCCN(CCC#N)CCOC
InChIInChI=1S/C10H21N3O/c1-12-6-4-8-13(7-3-5-11)9-10-14-2/h12H,3-4,6-10H2,1-2H3
InChIKeyQZUURCIIKPFRMK-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds9

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

3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile (PubChem CID 63286067) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile.

Molecular Properties

Compound Name3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile
PubChem CID63286067
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile
SMILESCNCCCN(CCC#N)CCOC
InChIInChI=1S/C10H21N3O/c1-12-6-4-8-13(7-3-5-11)9-10-14-2/h12H,3-4,6-10H2,1-2H3
InChIKeyQZUURCIIKPFRMK-UHFFFAOYSA-N
XLogP0.46
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.46
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

CID 18945537
CID 18945537
CID 10975518
CID 10975518
CID 28387859
CID 28387859
CID 3019741
CID 3019741
CID 168654930
CID 168654930
CID 168654943
CID 168654943
CID 80699201
CID 80699201
CID 81107036
CID 81107036
CID 2794871
CID 2794871
CID 7138381
CID 7138381
CID 12220835
CID 12220835
CID 13126654
CID 13126654

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile?
The IUPAC name of 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile (CID 63286067) is 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile.
What is the SMILES notation for 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile?
The canonical SMILES for 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile is CNCCCN(CCC#N)CCOC.
What is the InChIKey of 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile?
The InChIKey is QZUURCIIKPFRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-6-4-8-13(7-3-5-11)9-10-14-2/h12H,3-4,6-10H2,1-2H3.
What are the key properties of 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile?
3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile has a molecular weight of 199.30 g/mol, XLogP of 0.46, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxyethyl-[3-(methylamino)propyl]amino]propanenitrile is sourced from PubChem (CID 63286067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).