3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide

C10H24N4O — CID 77029774

IUPAC3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCCCN(C)C
InChIInChI=1S/C10H24N4O/c1-4-9(8-10(11)13-15)12-6-5-7-14(2)3/h9,12,15H,4-8H2,1-3H3,(H2,11,13)
InChIKeyGJUZXPDDZTTZTF-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.44
Rot. Bonds8

About 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide

3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide (PubChem CID 77029774) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
PubChem CID77029774
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide
SMILESCCC(CC(N)=NO)NCCCN(C)C
InChIInChI=1S/C10H24N4O/c1-4-9(8-10(11)13-15)12-6-5-7-14(2)3/h9,12,15H,4-8H2,1-3H3,(H2,11,13)
InChIKeyGJUZXPDDZTTZTF-UHFFFAOYSA-N
XLogP0.44
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.44
H-Bond Donors ≤ 53
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(dimethylamino)ethylamino]-N'-hydroxypentanimidamide
CID 77028742
N'-hydroxy-3-[3-[methyl(propan-2-yl)amino]propylamino]pentanimidamide
CID 106034084
N'-hydroxy-3-(3-hydroxypropylamino)pentanimidamide
CID 77029003
N'-hydroxy-3-(3-methylsulfanylpropylamino)pentanimidamide
CID 77029932
N'-hydroxy-3-(5-methylhexylamino)pentanimidamide
CID 115325880
N'-hydroxy-3-(7-methyloctylamino)pentanimidamide
CID 114004141
N'-hydroxy-3-(2-methylsulfonylethylamino)pentanimidamide
CID 77025369
N'-hydroxy-5-(pentan-3-ylamino)pentanimidamide
CID 77026159
3-(but-2-ynylamino)-N'-hydroxypentanimidamide
CID 104861152
N'-hydroxy-3-(prop-2-ynylamino)pentanimidamide
CID 77026270
N',N'-dimethyl-N-pentan-3-ylheptane-1,7-diamine
CID 115712735
3-[1-(dimethylamino)propan-2-ylamino]-N'-hydroxypentanimidamide
CID 82938574

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide (CID 77029774) is 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide is CCC(CC(N)=NO)NCCCN(C)C.
What is the InChIKey of 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide?
The InChIKey is GJUZXPDDZTTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-4-9(8-10(11)13-15)12-6-5-7-14(2)3/h9,12,15H,4-8H2,1-3H3,(H2,11,13).
What are the key properties of 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide?
3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide has a molecular weight of 216.33 g/mol, XLogP of 0.44, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77029774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).