N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide

C7H16N4O — CID 163619825

IUPACN-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide
SMILESC=CN/C(N)=C(\N)[NH+]([O-])C(C)C
InChIInChI=1S/C7H16N4O/c1-4-10-6(8)7(9)11(12)5(2)3/h4-5,10-11H,1,8-9H2,2-3H3/b7-6+
InChIKeyHNDHTMYGWMYYJL-VOTSOKGWSA-N
MW172.23 g/mol
LogP-1.45
Rot. Bonds4

About N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide

N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide (PubChem CID 163619825) has the molecular formula C7H16N4O and a molecular weight of 172.23 g/mol. Its IUPAC name is N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide.

Molecular Properties

Compound NameN-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide
PubChem CID163619825
Molecular FormulaC7H16N4O
Molecular Weight172.23 g/mol
Exact Mass172.13
IUPAC NameN-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide
SMILESC=CN/C(N)=C(\N)[NH+]([O-])C(C)C
InChIInChI=1S/C7H16N4O/c1-4-10-6(8)7(9)11(12)5(2)3/h4-5,10-11H,1,8-9H2,2-3H3/b7-6+
InChIKeyHNDHTMYGWMYYJL-VOTSOKGWSA-N
XLogP-1.45
TPSA91.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1Z,3Z)-1-N',4-N-bis(ethenyl)buta-1,3-diene-1,1,2,3,4-pentamine
CID 174013930
3-methylbutyl N-ethenylcarbamate
CID 146374933
(2S)-but-3-en-2-amine
CID 10034575
(3R)-but-1-ene-2,3-diamine
CID 142167658
2-[1-(ethenylamino)ethenyl]guanidine
CID 147890387
2-(ethenylcarbamoylamino)propanoic acid
CID 108909097
1-ethenoxyethylurea
CID 19078685
N'-(1-bromoethyl)-N-ethenylcarbamimidoyl chloride
CID 174002011
N,5-dimethylhept-6-en-2-amine
CID 138518123
[(Z,7R)-3-(ethenylamino)-5-ethyl-7-methoxyoct-3-en-4-yl]-hydroxy-dimethylphosphanium
CID 174102788
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
ethane;N-ethenylprop-2-enethioamide
CID 156639581

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide?
The IUPAC name of N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide (CID 163619825) is N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide.
What is the SMILES notation for N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide?
The canonical SMILES for N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide is C=CN/C(N)=C(\N)[NH+]([O-])C(C)C.
What is the InChIKey of N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide?
The InChIKey is HNDHTMYGWMYYJL-VOTSOKGWSA-N. The full InChI is InChI=1S/C7H16N4O/c1-4-10-6(8)7(9)11(12)5(2)3/h4-5,10-11H,1,8-9H2,2-3H3/b7-6+.
What are the key properties of N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide?
N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide has a molecular weight of 172.23 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,2-diamino-2-(ethenylamino)ethenyl]propan-2-amine oxide is sourced from PubChem (CID 163619825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).