4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile

C13H26N4 — CID 65253055

IUPAC4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
SMILESCN1CCN(C)C(CNCCC(C)(C)C#N)C1
InChIInChI=1S/C13H26N4/c1-13(2,11-14)5-6-15-9-12-10-16(3)7-8-17(12)4/h12,15H,5-10H2,1-4H3
InChIKeyKNBWZLBHFRCFQK-UHFFFAOYSA-N
MW238.38 g/mol
LogP0.76
Rot. Bonds5

About 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile

4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile (PubChem CID 65253055) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile.

Molecular Properties

Compound Name4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
PubChem CID65253055
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile
SMILESCN1CCN(C)C(CNCCC(C)(C)C#N)C1
InChIInChI=1S/C13H26N4/c1-13(2,11-14)5-6-15-9-12-10-16(3)7-8-17(12)4/h12,15H,5-10H2,1-4H3
InChIKeyKNBWZLBHFRCFQK-UHFFFAOYSA-N
XLogP0.76
TPSA42.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-4,4,4-trifluorobutan-1-amine
CID 113326353
2,2-dimethyl-5-[(1-methylpyrrolidin-3-yl)methylamino]pentanenitrile
CID 65254297
N-[(1,4-dimethylpiperazin-2-yl)methyl]heptan-1-amine
CID 63899137
2-cyano-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylbutanamide
CID 113270370
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 63898158
1-(1,4-dimethylpiperazin-2-yl)-N-methylmethanamine
CID 45099459
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5,5-dimethylhexan-2-amine
CID 114279927
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 103409514
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-2,2-dimethylbutanenitrile
CID 65251196
2,2-dimethyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanenitrile
CID 65252040
5-[[(1,4-dimethylpiperazin-2-yl)methylamino]methyl]furan-2-carbonitrile
CID 113243162
5-(3-ethyl-4-methylpiperazin-1-yl)-2,2-dimethylpentanenitrile
CID 65257902

Frequently Asked Questions

What is the IUPAC name of 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile?
The IUPAC name of 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile (CID 65253055) is 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile.
What is the SMILES notation for 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile?
The canonical SMILES for 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile is CN1CCN(C)C(CNCCC(C)(C)C#N)C1.
What is the InChIKey of 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile?
The InChIKey is KNBWZLBHFRCFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-13(2,11-14)5-6-15-9-12-10-16(3)7-8-17(12)4/h12,15H,5-10H2,1-4H3.
What are the key properties of 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile?
4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile has a molecular weight of 238.38 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,4-dimethylpiperazin-2-yl)methylamino]-2,2-dimethylbutanenitrile is sourced from PubChem (CID 65253055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).