N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide

C7H15N5O — CID 174110941

IUPACN-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide
SMILESC/N=C(\C)C(=NNC)C(=O)NCN
InChIInChI=1S/C7H15N5O/c1-5(9-2)6(12-10-3)7(13)11-4-8/h10H,4,8H2,1-3H3,(H,11,13)/b9-5+,12-6?
InChIKeyBBRZSWFIUYWSIS-CYFJCHAASA-N
MW185.23 g/mol
LogP-1.32
Rot. Bonds4

About N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide

N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide (PubChem CID 174110941) has the molecular formula C7H15N5O and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide.

Molecular Properties

Compound NameN-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide
PubChem CID174110941
Molecular FormulaC7H15N5O
Molecular Weight185.23 g/mol
Exact Mass185.13
IUPAC NameN-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide
SMILESC/N=C(\C)C(=NNC)C(=O)NCN
InChIInChI=1S/C7H15N5O/c1-5(9-2)6(12-10-3)7(13)11-4-8/h10H,4,8H2,1-3H3,(H,11,13)/b9-5+,12-6?
InChIKeyBBRZSWFIUYWSIS-CYFJCHAASA-N
XLogP-1.32
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-6-methyl-3,4-dihydro-2H-1,2,4-triazin-5-one
CID 4994630
(2R)-2-hydrazinyl-4-methyl-2,5-dihydro-1H-pyrimidin-6-one
CID 6946330
(2S)-2-hydrazinyl-4-methyl-2,5-dihydro-1H-pyrimidin-6-one
CID 6946332

Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide?
The IUPAC name of N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide (CID 174110941) is N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide.
What is the SMILES notation for N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide?
The canonical SMILES for N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide is C/N=C(\C)C(=NNC)C(=O)NCN.
What is the InChIKey of N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide?
The InChIKey is BBRZSWFIUYWSIS-CYFJCHAASA-N. The full InChI is InChI=1S/C7H15N5O/c1-5(9-2)6(12-10-3)7(13)11-4-8/h10H,4,8H2,1-3H3,(H,11,13)/b9-5+,12-6?.
What are the key properties of N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide?
N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide has a molecular weight of 185.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-2-(methylhydrazinylidene)-3-methyliminobutanamide is sourced from PubChem (CID 174110941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).