5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile

C15H32N4 — CID 106804057

IUPAC5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC)C(C)CN(C)C
InChIInChI=1S/C15H32N4/c1-7-15(13-16,17-4)10-9-11-19(8-2)14(3)12-18(5)6/h14,17H,7-12H2,1-6H3
InChIKeyWCIFTSUMQZJJIY-UHFFFAOYSA-N
MW268.45 g/mol
LogP1.93
Rot. Bonds10

About 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile

5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106804057) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106804057
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCN(CCCC(C#N)(CC)NC)C(C)CN(C)C
InChIInChI=1S/C15H32N4/c1-7-15(13-16,17-4)10-9-11-19(8-2)14(3)12-18(5)6/h14,17H,7-12H2,1-6H3
InChIKeyWCIFTSUMQZJJIY-UHFFFAOYSA-N
XLogP1.93
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106803413
2-ethyl-5-[ethyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802974
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106802895
2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
CID 106803016
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964
2-(cyclopropylamino)-2-ethyl-5-[ethyl(propan-2-yl)amino]pentanenitrile
CID 106802975
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803411
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047
3-[1-(dimethylamino)propan-2-yl-ethylamino]propane-1-thiol
CID 103192376
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
2-ethyl-5-[methyl(3-methylbutan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106803055
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
CID 103190848

Frequently Asked Questions

What is the IUPAC name of 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile (CID 106804057) is 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile is CCN(CCCC(C#N)(CC)NC)C(C)CN(C)C.
What is the InChIKey of 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is WCIFTSUMQZJJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-7-15(13-16,17-4)10-9-11-19(8-2)14(3)12-18(5)6/h14,17H,7-12H2,1-6H3.
What are the key properties of 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile?
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 268.45 g/mol, XLogP of 1.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106804057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).