2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile

C18H29N3 — CID 106803449

IUPAC2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H29N3/c1-6-18(14-19,20-7-2)9-8-10-21(5)17-12-15(3)11-16(4)13-17/h11-13,20H,6-10H2,1-5H3
InChIKeyMPCULBCPIFKWFQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.80
Rot. Bonds8

About 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile

2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile (PubChem CID 106803449) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
PubChem CID106803449
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)c1cc(C)cc(C)c1
InChIInChI=1S/C18H29N3/c1-6-18(14-19,20-7-2)9-8-10-21(5)17-12-15(3)11-16(4)13-17/h11-13,20H,6-10H2,1-5H3
InChIKeyMPCULBCPIFKWFQ-UHFFFAOYSA-N
XLogP3.80
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
CID 106803455
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
CID 106803437
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785
2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158
2-ethyl-2-(ethylamino)-5-(2,3,6-trimethylphenoxy)pentanenitrile
CID 106804621
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile (CID 106803449) is 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile is CCNC(C#N)(CC)CCCN(C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile?
The InChIKey is MPCULBCPIFKWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-6-18(14-19,20-7-2)9-8-10-21(5)17-12-15(3)11-16(4)13-17/h11-13,20H,6-10H2,1-5H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile has a molecular weight of 287.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile is sourced from PubChem (CID 106803449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).