5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile

C14H29N3 — CID 106802895

IUPAC5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCCN(CCC)CCCC(C#N)(CC)NC
InChIInChI=1S/C14H29N3/c1-5-10-17(11-6-2)12-8-9-14(7-3,13-15)16-4/h16H,5-12H2,1-4H3
InChIKeyBSAMSSXDWLMFSP-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.78
Rot. Bonds10

About 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile

5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile (PubChem CID 106802895) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
PubChem CID106802895
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile
SMILESCCCN(CCC)CCCC(C#N)(CC)NC
InChIInChI=1S/C14H29N3/c1-5-10-17(11-6-2)12-8-9-14(7-3,13-15)16-4/h16H,5-12H2,1-4H3
InChIKeyBSAMSSXDWLMFSP-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(methylamino)-5-[methyl(pentyl)amino]pentanenitrile
CID 106803016
5-[butan-2-yl(butyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106803413
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970
2-(cyclopropylamino)-5-(dibutylamino)-2-ethylpentanenitrile
CID 106802939
2-ethyl-2-(methylamino)butanenitrile
CID 43115036
2-ethyl-2-(methylamino)-5-pentylsulfanylpentanenitrile
CID 107754893
5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-ethyl-2-(methylamino)pentanenitrile
CID 106804057
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
2-ethyl-2-(methylamino)-5-(4-propylpiperazin-1-yl)pentanenitrile
CID 106802818
5-(2-ethoxyethoxy)-2-ethyl-2-(methylamino)pentanenitrile
CID 106804379
2-ethyl-2-(methylamino)-5-(4-propoxyphenoxy)pentanenitrile
CID 106804620
5-[3-(dimethylamino)propyl-ethylamino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804047

Frequently Asked Questions

What is the IUPAC name of 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile?
The IUPAC name of 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile (CID 106802895) is 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile is CCCN(CCC)CCCC(C#N)(CC)NC.
What is the InChIKey of 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile?
The InChIKey is BSAMSSXDWLMFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-5-10-17(11-6-2)12-8-9-14(7-3,13-15)16-4/h16H,5-12H2,1-4H3.
What are the key properties of 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile?
5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipropylamino)-2-ethyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 106802895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).