5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide

C13H29N5O — CID 76975875

IUPAC5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCN(C)CCN1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C13H29N5O/c1-16(2)7-8-18-11-9-17(10-12-18)6-4-3-5-13(14)15-19/h19H,3-12H2,1-2H3,(H2,14,15)
InChIKeyUQWDZWBMWMSCOJ-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.08
Rot. Bonds8

About 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide

5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 76975875) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide
PubChem CID76975875
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCN(C)CCN1CCN(CCCCC(N)=NO)CC1
InChIInChI=1S/C13H29N5O/c1-16(2)7-8-18-11-9-17(10-12-18)6-4-3-5-13(14)15-19/h19H,3-12H2,1-2H3,(H2,14,15)
InChIKeyUQWDZWBMWMSCOJ-UHFFFAOYSA-N
XLogP0.08
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 658234
CID 658234
CID 2737206
CID 2737206
CID 7358501
CID 7358501
CID 9580383
CID 9580383
CID 5882606
CID 5882606
CID 7358324
CID 7358324
CID 5702866
CID 5702866
CID 5910104
CID 5910104
CID 658210
CID 658210
CID 24692428
CID 24692428
CID 24697492
CID 24697492
CID 24697862
CID 24697862

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide (CID 76975875) is 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide is CN(C)CCN1CCN(CCCCC(N)=NO)CC1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is UQWDZWBMWMSCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-16(2)7-8-18-11-9-17(10-12-18)6-4-3-5-13(14)15-19/h19H,3-12H2,1-2H3,(H2,14,15).
What are the key properties of 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide?
5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 271.41 g/mol, XLogP of 0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 76975875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).