3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile

C10H21N3O — CID 81061726

IUPAC3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)CN(C)CCOCC
InChIInChI=1S/C10H21N3O/c1-4-12-10(8-11)9-13(3)6-7-14-5-2/h10,12H,4-7,9H2,1-3H3
InChIKeyOEHVDXLXRWCQOW-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds8

About 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile

3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile (PubChem CID 81061726) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile.

Molecular Properties

Compound Name3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
PubChem CID81061726
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
SMILESCCNC(C#N)CN(C)CCOCC
InChIInChI=1S/C10H21N3O/c1-4-12-10(8-11)9-13(3)6-7-14-5-2/h10,12H,4-7,9H2,1-3H3
InChIKeyOEHVDXLXRWCQOW-UHFFFAOYSA-N
XLogP0.46
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

2-(ethylamino)-3-[methyl(2-methylsulfonylethyl)amino]propanenitrile
CID 79849960
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
1-N-(2-ethoxyethyl)-1-N,3-dimethyl-2-N-propylbutane-1,2-diamine
CID 81058530
3-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)propanenitrile
CID 81062010
4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
CID 63700649
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile
CID 103489740
2-(ethylamino)-4-[methyl(pentyl)amino]butanenitrile
CID 63028489
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
1-bromo-3-[2-ethoxyethyl(methyl)amino]propan-2-ol
CID 112561814
1-[2-ethoxyethyl(methyl)amino]-3-methoxypropan-2-ol
CID 62013826
N'-(2-ethoxyethyl)-N'-methyl-N-(3-methylbutan-2-yl)ethane-1,2-diamine
CID 81068490
N-(2-ethoxyethyl)-N,2-dimethylbutane-1,4-diamine
CID 81055341

Frequently Asked Questions

What is the IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile?
The IUPAC name of 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile (CID 81061726) is 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile.
What is the SMILES notation for 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile?
The canonical SMILES for 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile is CCNC(C#N)CN(C)CCOCC.
What is the InChIKey of 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile?
The InChIKey is OEHVDXLXRWCQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-4-12-10(8-11)9-13(3)6-7-14-5-2/h10,12H,4-7,9H2,1-3H3.
What are the key properties of 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile?
3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile has a molecular weight of 199.30 g/mol, XLogP of 0.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile is sourced from PubChem (CID 81061726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).