2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide

C13H28N4O — CID 63896376

IUPAC2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-5-6-13(2,14)12(18)15-9-11-10-16(3)7-8-17(11)4/h11H,5-10,14H2,1-4H3,(H,15,18)
InChIKeyTUTQCKZGCZAJKM-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds5

About 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide

2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide (PubChem CID 63896376) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
PubChem CID63896376
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCC1CN(C)CCN1C
InChIInChI=1S/C13H28N4O/c1-5-6-13(2,14)12(18)15-9-11-10-16(3)7-8-17(11)4/h11H,5-10,14H2,1-4H3,(H,15,18)
InChIKeyTUTQCKZGCZAJKM-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide (CID 63896376) is 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCC1CN(C)CCN1C.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide?
The InChIKey is TUTQCKZGCZAJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-5-6-13(2,14)12(18)15-9-11-10-16(3)7-8-17(11)4/h11H,5-10,14H2,1-4H3,(H,15,18).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide?
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-methylpentanamide is sourced from PubChem (CID 63896376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).