5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile

C14H27N3 — CID 106803133

IUPAC5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)CC1CC1
InChIInChI=1S/C14H27N3/c1-4-14(12-15,16-5-2)9-6-10-17(3)11-13-7-8-13/h13,16H,4-11H2,1-3H3
InChIKeyILOIQDMVYOFXNJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.39
Rot. Bonds9

About 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile

5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (PubChem CID 106803133) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.

Molecular Properties

Compound Name5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
PubChem CID106803133
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
SMILESCCNC(C#N)(CC)CCCN(C)CC1CC1
InChIInChI=1S/C14H27N3/c1-4-14(12-15,16-5-2)9-6-10-17(3)11-13-7-8-13/h13,16H,4-11H2,1-3H3
InChIKeyILOIQDMVYOFXNJ-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[cyclopentylmethyl(methyl)amino]-2-ethyl-2-(propylamino)pentanenitrile
CID 106803666
5-[cyclohexylmethyl(methyl)amino]-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106803389
5-[butyl(cyclopropyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803224
2-ethyl-2-(ethylamino)-5-[methyl(2-pyrrolidin-1-ylethyl)amino]pentanenitrile
CID 106803619
2-ethyl-2-(ethylamino)-5-[methyl(2-methylbutan-2-yl)amino]pentanenitrile
CID 106803716
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803169
5-[1-cyclopropylethyl(2-methoxyethyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile
CID 106803296
2-ethyl-2-(ethylamino)-5-(N,3,5-trimethylanilino)pentanenitrile
CID 106803449
5-[cyclobutylmethyl(ethyl)amino]-2-ethyl-2-(methylamino)pentanenitrile
CID 107400970
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785
2-ethyl-5-[methyl(2-methylpropyl)amino]-2-(propylamino)pentanenitrile
CID 106802943
2-ethyl-5-[ethyl(methyl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 106802964

Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The IUPAC name of 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile (CID 106803133) is 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile.
What is the SMILES notation for 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The canonical SMILES for 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is CCNC(C#N)(CC)CCCN(C)CC1CC1.
What is the InChIKey of 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
The InChIKey is ILOIQDMVYOFXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-14(12-15,16-5-2)9-6-10-17(3)11-13-7-8-13/h13,16H,4-11H2,1-3H3.
What are the key properties of 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile?
5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile has a molecular weight of 237.39 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropylmethyl(methyl)amino]-2-ethyl-2-(ethylamino)pentanenitrile is sourced from PubChem (CID 106803133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).