(2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide

C11H24N4O2 — CID 6887094

IUPAC(2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNCCCCNC(=O)/C=N/O
InChIInChI=1S/C11H24N4O2/c1-15(2)9-5-7-12-6-3-4-8-13-11(16)10-14-17/h10,12,17H,3-9H2,1-2H3,(H,13,16)/b14-10+
InChIKeyIXAQIGCWBJQRBH-GXDHUFHOSA-N
MW244.34 g/mol
LogP-0.12
Rot. Bonds10

About (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide

(2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide (PubChem CID 6887094) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide
PubChem CID6887094
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC Name(2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNCCCCNC(=O)/C=N/O
InChIInChI=1S/C11H24N4O2/c1-15(2)9-5-7-12-6-3-4-8-13-11(16)10-14-17/h10,12,17H,3-9H2,1-2H3,(H,13,16)/b14-10+
InChIKeyIXAQIGCWBJQRBH-GXDHUFHOSA-N
XLogP-0.12
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
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': '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 (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide (CID 6887094) is (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide is CN(C)CCCNCCCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide?
The InChIKey is IXAQIGCWBJQRBH-GXDHUFHOSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-15(2)9-5-7-12-6-3-4-8-13-11(16)10-14-17/h10,12,17H,3-9H2,1-2H3,(H,13,16)/b14-10+.
What are the key properties of (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide?
(2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide has a molecular weight of 244.34 g/mol, XLogP of -0.12, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[4-[3-(dimethylamino)propylamino]butyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 6887094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).