5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide

C11H26N4O — CID 77026354

IUPAC5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
SMILESCCN(CC)CCNCCCCC(N)=NO
InChIInChI=1S/C11H26N4O/c1-3-15(4-2)10-9-13-8-6-5-7-11(12)14-16/h13,16H,3-10H2,1-2H3,(H2,12,14)
InChIKeyKNINZSNXMUGRNH-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.83
Rot. Bonds10

About 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide

5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide (PubChem CID 77026354) has the molecular formula C11H26N4O and a molecular weight of 230.36 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
PubChem CID77026354
Molecular FormulaC11H26N4O
Molecular Weight230.36 g/mol
Exact Mass230.21
IUPAC Name5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide
SMILESCCN(CC)CCNCCCCC(N)=NO
InChIInChI=1S/C11H26N4O/c1-3-15(4-2)10-9-13-8-6-5-7-11(12)14-16/h13,16H,3-10H2,1-2H3,(H2,12,14)
InChIKeyKNINZSNXMUGRNH-UHFFFAOYSA-N
XLogP0.83
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.83
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

4-[2-(dimethylamino)ethylamino]-N'-hydroxybutanimidamide
CID 77029128
4-[3-(dimethylamino)propylamino]-N'-hydroxybutanimidamide
CID 77029991
N'-hydroxy-5-(3-hydroxypropylamino)pentanimidamide
CID 77028808
5-(2-ethoxyethylamino)-N'-hydroxypentanimidamide
CID 77027141
5-(3-ethoxypropylamino)-N'-hydroxypentanimidamide
CID 77025981
N'-hydroxy-5-(2-methylsulfanylethylamino)pentanimidamide
CID 77027857
3-[2-(diethylamino)ethyl-ethylamino]-N'-hydroxypropanimidamide
CID 107912397
5-(2-butoxyethylamino)-N'-hydroxypentanimidamide
CID 77030771
2-[1-[[2-(diethylamino)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 77071440
N'-hydroxy-5-(prop-2-ynylamino)pentanimidamide
CID 77026148
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468
N'-hydroxy-5-(2-methylbutylamino)pentanimidamide
CID 77027184

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide?
The IUPAC name of 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide (CID 77026354) is 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide.
What is the SMILES notation for 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide?
The canonical SMILES for 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide is CCN(CC)CCNCCCCC(N)=NO.
What is the InChIKey of 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide?
The InChIKey is KNINZSNXMUGRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4O/c1-3-15(4-2)10-9-13-8-6-5-7-11(12)14-16/h13,16H,3-10H2,1-2H3,(H2,12,14).
What are the key properties of 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide?
5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide has a molecular weight of 230.36 g/mol, XLogP of 0.83, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethylamino]-N'-hydroxypentanimidamide is sourced from PubChem (CID 77026354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).