4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile

C15H29N3O2 — CID 82961124

IUPAC4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile
SMILESCCOCCN(CCOCC)CCC(C#N)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-3-19-11-9-18(10-12-20-4-2)8-7-15(13-16)17-14-5-6-14/h14-15,17H,3-12H2,1-2H3
InChIKeyJNXNNXYKZOWMLL-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.40
Rot. Bonds13

About 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile

4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile (PubChem CID 82961124) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile.

Molecular Properties

Compound Name4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile
PubChem CID82961124
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile
SMILESCCOCCN(CCOCC)CCC(C#N)NC1CC1
InChIInChI=1S/C15H29N3O2/c1-3-19-11-9-18(10-12-20-4-2)8-7-15(13-16)17-14-5-6-14/h14-15,17H,3-12H2,1-2H3
InChIKeyJNXNNXYKZOWMLL-UHFFFAOYSA-N
XLogP1.40
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-4-pentoxybutanenitrile
CID 63029424
2-(cyclopropylamino)-4-[methyl(2-methylbutan-2-yl)amino]butanenitrile
CID 63966890
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
1-cyclopropyl-N',N'-bis(2-ethoxyethyl)propane-1,3-diamine
CID 82954187
2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63691582
2-amino-4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63692096
4-cyclopentyloxy-2-(cyclopropylamino)butanenitrile
CID 63030163
N-cyclopropyl-N',N'-bis(2-ethoxyethyl)hexane-1,6-diamine
CID 82940250
N',N'-bis(2-ethoxyethyl)-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 82943267
2-(cyclopropylamino)-4-(oxan-4-ylmethoxy)butanenitrile
CID 63054921
3-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)propanenitrile
CID 81061726
2-(cyclopropylamino)-4-(N-ethyl-2-fluoroanilino)butanenitrile
CID 63030292

Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile?
The IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile (CID 82961124) is 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile.
What is the SMILES notation for 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile?
The canonical SMILES for 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile is CCOCCN(CCOCC)CCC(C#N)NC1CC1.
What is the InChIKey of 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile?
The InChIKey is JNXNNXYKZOWMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-3-19-11-9-18(10-12-20-4-2)8-7-15(13-16)17-14-5-6-14/h14-15,17H,3-12H2,1-2H3.
What are the key properties of 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile?
4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile has a molecular weight of 283.42 g/mol, XLogP of 1.40, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-ethoxyethyl)amino]-2-(cyclopropylamino)butanenitrile is sourced from PubChem (CID 82961124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).