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

C10H22N4O2 — CID 6410067

IUPAC(2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNCCCNC(=O)/C=N/O
InChIInChI=1S/C10H22N4O2/c1-14(2)8-4-6-11-5-3-7-12-10(15)9-13-16/h9,11,16H,3-8H2,1-2H3,(H,12,15)/b13-9+
InChIKeyDDHXMDITSNVXAI-UKTHLTGXSA-N
MW230.31 g/mol
LogP-0.51
Rot. Bonds9

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

(2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide (PubChem CID 6410067) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide.

Molecular Properties

Compound Name(2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide
PubChem CID6410067
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC Name(2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide
SMILESCN(C)CCCNCCCNC(=O)/C=N/O
InChIInChI=1S/C10H22N4O2/c1-14(2)8-4-6-11-5-3-7-12-10(15)9-13-16/h9,11,16H,3-8H2,1-2H3,(H,12,15)/b13-9+
InChIKeyDDHXMDITSNVXAI-UKTHLTGXSA-N
XLogP-0.51
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.51
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-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide?
The IUPAC name of (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide (CID 6410067) is (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide.
What is the SMILES notation for (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide?
The canonical SMILES for (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide is CN(C)CCCNCCCNC(=O)/C=N/O.
What is the InChIKey of (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide?
The InChIKey is DDHXMDITSNVXAI-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-14(2)8-4-6-11-5-3-7-12-10(15)9-13-16/h9,11,16H,3-8H2,1-2H3,(H,12,15)/b13-9+.
What are the key properties of (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide?
(2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide has a molecular weight of 230.31 g/mol, XLogP of -0.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[3-[3-(dimethylamino)propylamino]propyl]-2-hydroxyiminoacetamide is sourced from PubChem (CID 6410067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).