3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide

C9H22N4O — CID 77028742

IUPAC3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCCN(C)C
InChIInChI=1S/C9H22N4O/c1-4-8(7-9(10)12-14)11-5-6-13(2)3/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyLYXBDUJVAZLMMJ-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.05
Rot. Bonds7

About 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide

3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77028742) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77028742
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCCN(C)C
InChIInChI=1S/C9H22N4O/c1-4-8(7-9(10)12-14)11-5-6-13(2)3/h8,11,14H,4-7H2,1-3H3,(H2,10,12)
InChIKeyLYXBDUJVAZLMMJ-UHFFFAOYSA-N
XLogP0.05
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide (CID 77028742) is 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NCCN(C)C.
What is the InChIKey of 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is LYXBDUJVAZLMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-4-8(7-9(10)12-14)11-5-6-13(2)3/h8,11,14H,4-7H2,1-3H3,(H2,10,12).
What are the key properties of 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide?
3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 202.30 g/mol, XLogP of 0.05, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77028742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).