2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide

C10H21BrN4O2 — CID 142216000

IUPAC2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide
SMILESCC(C)CN(C)NC(=O)CN(C)NC(=O)CBr
InChIInChI=1S/C10H21BrN4O2/c1-8(2)6-14(3)13-10(17)7-15(4)12-9(16)5-11/h8H,5-7H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyCQCJKMTYWPYVMD-UHFFFAOYSA-N
MW309.21 g/mol
LogP-0.04
Rot. Bonds7

About 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide

2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide (PubChem CID 142216000) has the molecular formula C10H21BrN4O2 and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide.

Molecular Properties

Compound Name2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide
PubChem CID142216000
Molecular FormulaC10H21BrN4O2
Molecular Weight309.21 g/mol
Exact Mass308.08
IUPAC Name2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide
SMILESCC(C)CN(C)NC(=O)CN(C)NC(=O)CBr
InChIInChI=1S/C10H21BrN4O2/c1-8(2)6-14(3)13-10(17)7-15(4)12-9(16)5-11/h8H,5-7H2,1-4H3,(H,12,16)(H,13,17)
InChIKeyCQCJKMTYWPYVMD-UHFFFAOYSA-N
XLogP-0.04
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-(2-methylpropyl)-N'-(2-oxoethyl)acetohydrazide;1,2-dimethyl-1-(2-methylpropyl)hydrazine
CID 142215971
2-bromo-N-(3-methylbutyl)acetamide;1-iodo-2-methylpropane
CID 157499049
2-bromo-N-[2-(dimethylamino)propyl]acetamide
CID 63679918
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
N-(3-bromo-2-oxopropyl)-N-(2-methylpropyl)acetamide
CID 104701294
2-[ethyl(2-methylpropyl)amino]acetohydrazide
CID 63574008
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(dimethylamino)-4-methylpentanamide
CID 88872227
2-[bis(2-methylpropyl)amino]acetyl chloride
CID 39254720
2-bromo-N-[(2-methylpropylamino)methyl]acetamide
CID 142215983
2-bromo-N-methyl-N-(2-methylpropyl)propanamide
CID 107903182
2-bromo-N-(2-hydroxypropyl)acetamide
CID 63679537
2-[2-methylpropyl(methylsulfonyl)amino]-N-prop-2-enylacetamide
CID 113148433

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide?
The IUPAC name of 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide (CID 142216000) is 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide.
What is the SMILES notation for 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide?
The canonical SMILES for 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide is CC(C)CN(C)NC(=O)CN(C)NC(=O)CBr.
What is the InChIKey of 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide?
The InChIKey is CQCJKMTYWPYVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21BrN4O2/c1-8(2)6-14(3)13-10(17)7-15(4)12-9(16)5-11/h8H,5-7H2,1-4H3,(H,12,16)(H,13,17).
What are the key properties of 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide?
2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide has a molecular weight of 309.21 g/mol, XLogP of -0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-bromoacetyl)amino]-methylamino]-N'-methyl-N'-(2-methylpropyl)acetohydrazide is sourced from PubChem (CID 142216000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).