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

C13H28N4O — CID 63898805

IUPAC6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
SMILESCN1CCN(C)C(CNC(=O)CCCCCN)C1
InChIInChI=1S/C13H28N4O/c1-16-8-9-17(2)12(11-16)10-15-13(18)6-4-3-5-7-14/h12H,3-11,14H2,1-2H3,(H,15,18)
InChIKeyJEGJFCCHJSZPLN-UHFFFAOYSA-N
MW256.39 g/mol
LogP-0.13
Rot. Bonds7

About 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide

6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide (PubChem CID 63898805) has the molecular formula C13H28N4O and a molecular weight of 256.39 g/mol. Its IUPAC name is 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide.

Molecular Properties

Compound Name6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
PubChem CID63898805
Molecular FormulaC13H28N4O
Molecular Weight256.39 g/mol
Exact Mass256.23
IUPAC Name6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide
SMILESCN1CCN(C)C(CNC(=O)CCCCCN)C1
InChIInChI=1S/C13H28N4O/c1-16-8-9-17(2)12(11-16)10-15-13(18)6-4-3-5-7-14/h12H,3-11,14H2,1-2H3,(H,15,18)
InChIKeyJEGJFCCHJSZPLN-UHFFFAOYSA-N
XLogP-0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(1,4-dimethylpiperazin-2-yl)methyl]pentanamide
CID 107910113
5-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-methylpentanamide
CID 82688861
3-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]propanamide
CID 63896562
2-[4-(aminomethyl)cyclohexyl]-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63899028
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-(methylamino)acetamide
CID 63898995
N-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 131908174
6-amino-N-(cyclopropylmethyl)hexanamide
CID 24707919
7-amino-N-(cyclopropylmethyl)heptanamide
CID 24705524
2-(cyclopropylamino)-N-[(1,4-dimethylpiperazin-2-yl)methyl]acetamide
CID 63896375
1-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-methylcyclobutane-1-carboxamide
CID 80599155
2-(aminomethyl)-N-[(1,4-dimethylpiperazin-2-yl)methyl]butanamide
CID 63898587
N-(cyclopropylmethyl)-2-[(1,4-dimethylpiperazin-2-yl)methylamino]acetamide
CID 63897450

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide?
The IUPAC name of 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide (CID 63898805) is 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide.
What is the SMILES notation for 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide?
The canonical SMILES for 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide is CN1CCN(C)C(CNC(=O)CCCCCN)C1.
What is the InChIKey of 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide?
The InChIKey is JEGJFCCHJSZPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4O/c1-16-8-9-17(2)12(11-16)10-15-13(18)6-4-3-5-7-14/h12H,3-11,14H2,1-2H3,(H,15,18).
What are the key properties of 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide?
6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide has a molecular weight of 256.39 g/mol, XLogP of -0.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]hexanamide is sourced from PubChem (CID 63898805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).