4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile

C14H28N4 — CID 64726134

IUPAC4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCC1CN(C(C)CC(C)(C#N)NC)CCN1C
InChIInChI=1S/C14H28N4/c1-6-13-10-18(8-7-17(13)5)12(2)9-14(3,11-15)16-4/h12-13,16H,6-10H2,1-5H3
InChIKeyXWYMQACAFARVQG-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.29
Rot. Bonds5

About 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile

4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64726134) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64726134
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCC1CN(C(C)CC(C)(C#N)NC)CCN1C
InChIInChI=1S/C14H28N4/c1-6-13-10-18(8-7-17(13)5)12(2)9-14(3,11-15)16-4/h12-13,16H,6-10H2,1-5H3
InChIKeyXWYMQACAFARVQG-UHFFFAOYSA-N
XLogP1.29
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentan-1-ol
CID 64790195
3-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)propanenitrile
CID 63634175
3-(3-ethyl-4-methylpiperazin-1-yl)butanenitrile
CID 63608814
3-(3-ethyl-4-methylpiperazin-1-yl)-N-methylbutan-1-amine
CID 63620150
2-methyl-2-(methylamino)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64728323
2-methyl-2-(methylamino)-4-[4-(2-methylpropyl)piperazin-1-yl]pentanenitrile
CID 64727115
2-methyl-2-(methylamino)-4-(3-piperidin-1-ylpyrrolidin-1-yl)pentanenitrile
CID 64725330
3-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylbutan-1-amine
CID 63619642
4-(3-ethyl-4-methylpiperazin-1-yl)-N-propan-2-ylpentan-1-amine
CID 55215458
3-(3-ethyl-4-methylpiperazin-1-yl)-N,2-dimethylbutan-1-amine
CID 79409074
N-[2-(3-ethyl-4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 63621875
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)butanoate
CID 63609412

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile (CID 64726134) is 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile is CCC1CN(C(C)CC(C)(C#N)NC)CCN1C.
What is the InChIKey of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is XWYMQACAFARVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-6-13-10-18(8-7-17(13)5)12(2)9-14(3,11-15)16-4/h12-13,16H,6-10H2,1-5H3.
What are the key properties of 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile?
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 252.41 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64726134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).