4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile

C15H29N3 — CID 64726891

IUPAC4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(CC(C)C)C1CC1
InChIInChI=1S/C15H29N3/c1-6-17-15(5,11-16)9-13(4)18(10-12(2)3)14-7-8-14/h12-14,17H,6-10H2,1-5H3
InChIKeyWWUMRQBPIAENOU-UHFFFAOYSA-N
MW251.42 g/mol
LogP2.78
Rot. Bonds8

About 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile

4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64726891) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64726891
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(CC(C)C)C1CC1
InChIInChI=1S/C15H29N3/c1-6-17-15(5,11-16)9-13(4)18(10-12(2)3)14-7-8-14/h12-14,17H,6-10H2,1-5H3
InChIKeyWWUMRQBPIAENOU-UHFFFAOYSA-N
XLogP2.78
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopropyl(ethyl)amino]-2-methyl-2-(propylamino)pentanenitrile
CID 64727667
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727501
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
CID 64726878
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727728
2-(cyclopropylamino)-4-[cyclopropyl(2-methoxyethyl)amino]-2-methylpentanenitrile
CID 64728287
4-[cyclopropyl(2-methylpropyl)amino]-2-methyl-2-(methylamino)pentanamide
CID 64709685
methyl 2-amino-4-[cyclopropyl(2-methylpropyl)amino]-2-methylpentanoate
CID 64709489
2-(ethylamino)-4-(4-ethylpiperidin-1-yl)-2-methylpentanenitrile
CID 64728298
3-N-cyclopropyl-1-N-ethyl-3-N-(2-methylpropyl)butane-1,3-diamine
CID 62430260

Frequently Asked Questions

What is the IUPAC name of 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile (CID 64726891) is 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(CC(C)C)C1CC1.
What is the InChIKey of 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is WWUMRQBPIAENOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-6-17-15(5,11-16)9-13(4)18(10-12(2)3)14-7-8-14/h12-14,17H,6-10H2,1-5H3.
What are the key properties of 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile?
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 251.42 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64726891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).