N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide

C13H21N5O2 — CID 155241258

IUPACN'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide
SMILESCN(C)N(C)N(C)N(C)NC(=O)c1ccccc1C=O
InChIInChI=1S/C13H21N5O2/c1-15(2)17(4)18(5)16(3)14-13(20)12-9-7-6-8-11(12)10-19/h6-10H,1-5H3,(H,14,20)
InChIKeyHSECDYGYPCJKJG-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.25
Rot. Bonds6

About N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide

N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide (PubChem CID 155241258) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide.

Molecular Properties

Compound NameN'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide
PubChem CID155241258
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC NameN'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide
SMILESCN(C)N(C)N(C)N(C)NC(=O)c1ccccc1C=O
InChIInChI=1S/C13H21N5O2/c1-15(2)17(4)18(5)16(3)14-13(20)12-9-7-6-8-11(12)10-19/h6-10H,1-5H3,(H,14,20)
InChIKeyHSECDYGYPCJKJG-UHFFFAOYSA-N
XLogP0.25
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide?
The IUPAC name of N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide (CID 155241258) is N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide.
What is the SMILES notation for N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide?
The canonical SMILES for N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide is CN(C)N(C)N(C)N(C)NC(=O)c1ccccc1C=O.
What is the InChIKey of N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide?
The InChIKey is HSECDYGYPCJKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-15(2)17(4)18(5)16(3)14-13(20)12-9-7-6-8-11(12)10-19/h6-10H,1-5H3,(H,14,20).
What are the key properties of N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide?
N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide has a molecular weight of 279.34 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[dimethylamino(methyl)amino]-methylamino]-2-formyl-N'-methylbenzohydrazide is sourced from PubChem (CID 155241258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).