5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide

C13H29N5 — CID 55128278

IUPAC5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N5/c1-16(2)7-8-18-11-9-17(10-12-18)6-4-3-5-13(14)15/h3-12H2,1-2H3,(H3,14,15)
InChIKeyOJKRNGBBMBGDRS-UHFFFAOYSA-N
MW255.41 g/mol
LogP0.27
Rot. Bonds8

About 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide

5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide (PubChem CID 55128278) has the molecular formula C13H29N5 and a molecular weight of 255.41 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide
PubChem CID55128278
Molecular FormulaC13H29N5
Molecular Weight255.41 g/mol
Exact Mass255.24
IUPAC Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CCN(CCN(C)C)CC1
InChIInChI=1S/C13H29N5/c1-16(2)7-8-18-11-9-17(10-12-18)6-4-3-5-13(14)15/h3-12H2,1-2H3,(H3,14,15)
InChIKeyOJKRNGBBMBGDRS-UHFFFAOYSA-N
XLogP0.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide?
The IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide (CID 55128278) is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide is [H]/N=C(\N)CCCCN1CCN(CCN(C)C)CC1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide?
The InChIKey is OJKRNGBBMBGDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5/c1-16(2)7-8-18-11-9-17(10-12-18)6-4-3-5-13(14)15/h3-12H2,1-2H3,(H3,14,15).
What are the key properties of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide?
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide has a molecular weight of 255.41 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 55128278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).