2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile

C18H29N3 — CID 106803455

IUPAC2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC)c1ccc(C)cc1
InChIInChI=1S/C18H29N3/c1-5-18(15-19,20-6-2)13-8-14-21(7-3)17-11-9-16(4)10-12-17/h9-12,20H,5-8,13-14H2,1-4H3
InChIKeySGHWJHNJKHTKFQ-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.88
Rot. Bonds9

About 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile

2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile (PubChem CID 106803455) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile.

Molecular Properties

Compound Name2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
PubChem CID106803455
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(CC)c1ccc(C)cc1
InChIInChI=1S/C18H29N3/c1-5-18(15-19,20-6-2)13-8-14-21(7-3)17-11-9-16(4)10-12-17/h9-12,20H,5-8,13-14H2,1-4H3
InChIKeySGHWJHNJKHTKFQ-UHFFFAOYSA-N
XLogP3.88
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768
2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449
5-(N,4-dimethylanilino)-2-ethyl-2-(methylamino)pentanenitrile
CID 106803471
2-ethyl-2-(ethylamino)-5-(2-methoxy-N-methylanilino)pentanenitrile
CID 106803437
5-(4-ethoxyphenoxy)-2-ethyl-2-(ethylamino)pentanenitrile
CID 106804498
2-ethyl-2-(ethylamino)-5-(2,3,6-trimethylphenoxy)pentanenitrile
CID 106804621
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785
2-ethyl-2-(ethylamino)-5-(N-ethyl-3-methylanilino)pentan-1-ol
CID 106809347
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803133
5-(N-ethyl-4-methylanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063542
2-ethyl-2-(ethylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanenitrile
CID 106803158
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile?
The IUPAC name of 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile (CID 106803455) is 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile.
What is the SMILES notation for 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile?
The canonical SMILES for 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile is CCNC(C#N)(CC)CCCN(CC)c1ccc(C)cc1.
What is the InChIKey of 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile?
The InChIKey is SGHWJHNJKHTKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-5-18(15-19,20-6-2)13-8-14-21(7-3)17-11-9-16(4)10-12-17/h9-12,20H,5-8,13-14H2,1-4H3.
What are the key properties of 2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile?
2-ethyl-2-(ethylamino)-5-(N-ethyl-4-methylanilino)pentanenitrile has a molecular weight of 287.45 g/mol, XLogP of 3.88, 9 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-ethyl-4-methylanilino)pentanenitrile is sourced from PubChem (CID 106803455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).