(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide

C7H15N5O3 — CID 89114426

IUPAC(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide
SMILESCNC(=O)[C@H](CCCCNN=O)NN=O
InChIInChI=1S/C7H15N5O3/c1-8-7(13)6(10-12-15)4-2-3-5-9-11-14/h6H,2-5H2,1H3,(H,8,13)(H,9,14)(H,10,15)/t6-/m0/s1
InChIKeyCVNIVSKZFVOZTB-LURJTMIESA-N
MW217.23 g/mol
LogP-0.19
Rot. Bonds9

About (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide

(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide (PubChem CID 89114426) has the molecular formula C7H15N5O3 and a molecular weight of 217.23 g/mol. Its IUPAC name is (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide
PubChem CID89114426
Molecular FormulaC7H15N5O3
Molecular Weight217.23 g/mol
Exact Mass217.12
IUPAC Name(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide
SMILESCNC(=O)[C@H](CCCCNN=O)NN=O
InChIInChI=1S/C7H15N5O3/c1-8-7(13)6(10-12-15)4-2-3-5-9-11-14/h6H,2-5H2,1H3,(H,8,13)(H,9,14)(H,10,15)/t6-/m0/s1
InChIKeyCVNIVSKZFVOZTB-LURJTMIESA-N
XLogP-0.19
TPSA112.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-6-(methylamino)hexanamide
CID 153084375
7-acetamido-N-methyl-2-(methylamino)heptanamide
CID 129308900
2-acetamido-N-methyl-6-(methylamino)hexanamide;ethane
CID 171511904
6-amino-N-[6-amino-1-(methylamino)-1-oxohexan-2-yl]-2-methylhexanamide
CID 178053261
2-acetamido-6-(carbamoylamino)-N-methylhexanamide
CID 177168522
(2S)-2-(2-aminoethylamino)-N-methylheptanamide
CID 58592369
(2S)-N-methyl-2-(methylamino)pentanamide
CID 143782023
4-hydroxy-N-methyl-2-(methylamino)butanamide
CID 15486716
2-(2-oxohydrazinyl)-5-phosphonopentanoic acid
CID 137407867
(3R)-3,7-bis(methylamino)heptan-2-one
CID 91227284
tert-butyl N-[(2S)-1,6-bis(methylamino)-1-oxohexan-2-yl]carbamate
CID 11097723
2-methyl-N-nonyldecanamide
CID 141429494

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide?
The IUPAC name of (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide (CID 89114426) is (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide.
What is the SMILES notation for (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide?
The canonical SMILES for (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide is CNC(=O)[C@H](CCCCNN=O)NN=O.
What is the InChIKey of (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide?
The InChIKey is CVNIVSKZFVOZTB-LURJTMIESA-N. The full InChI is InChI=1S/C7H15N5O3/c1-8-7(13)6(10-12-15)4-2-3-5-9-11-14/h6H,2-5H2,1H3,(H,8,13)(H,9,14)(H,10,15)/t6-/m0/s1.
What are the key properties of (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide?
(2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide has a molecular weight of 217.23 g/mol, XLogP of -0.19, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2,6-bis(2-oxohydrazinyl)hexanamide is sourced from PubChem (CID 89114426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).