2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile

C14H29N3 — CID 64726878

IUPAC2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)C(C)C(C)C
InChIInChI=1S/C14H29N3/c1-8-16-14(6,10-15)9-12(4)17(7)13(5)11(2)3/h11-13,16H,8-9H2,1-7H3
InChIKeyVBLKTPPYVJWHPZ-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.63
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile

2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile (PubChem CID 64726878) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
PubChem CID64726878
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(C)C(C)C(C)C
InChIInChI=1S/C14H29N3/c1-8-16-14(6,10-15)9-12(4)17(7)13(5)11(2)3/h11-13,16H,8-9H2,1-7H3
InChIKeyVBLKTPPYVJWHPZ-UHFFFAOYSA-N
XLogP2.63
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
2-(ethylamino)-4-ethylsulfanyl-2-methylpentanenitrile
CID 64709571
4-[cyclopropylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726683
4-[cyclobutylmethyl(methyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64727714
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]pentanenitrile
CID 79858456
2-(ethylamino)-4-[(4-ethylcyclohexyl)-methylamino]-2-methylpentanenitrile
CID 64727501
2-methyl-4-[methyl(pentan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64726084
4-butylsulfanyl-2-(ethylamino)-2-methylpentanenitrile
CID 64728234
4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-(ethylamino)-2-methylpentanenitrile
CID 105416581
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
4-[cyclopropyl(2-methylpropyl)amino]-2-(ethylamino)-2-methylpentanenitrile
CID 64726891
4-(azepan-1-yl)-2-(ethylamino)-2-methylpentanenitrile
CID 64697350

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile?
The IUPAC name of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile (CID 64726878) is 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile is CCNC(C)(C#N)CC(C)N(C)C(C)C(C)C.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile?
The InChIKey is VBLKTPPYVJWHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-8-16-14(6,10-15)9-12(4)17(7)13(5)11(2)3/h11-13,16H,8-9H2,1-7H3.
What are the key properties of 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile?
2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile has a molecular weight of 239.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-[methyl(3-methylbutan-2-yl)amino]pentanenitrile is sourced from PubChem (CID 64726878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).