N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide

C8H19N5O — CID 88974746

IUPACN-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide
SMILESCNN(/C=C(\N)CN)CCNC(C)=O
InChIInChI=1S/C8H19N5O/c1-7(14)12-3-4-13(11-2)6-8(10)5-9/h6,11H,3-5,9-10H2,1-2H3,(H,12,14)/b8-6-
InChIKeyNHCANYYXCYPHJG-VURMDHGXSA-N
MW201.27 g/mol
LogP-1.68
Rot. Bonds6

About N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide

N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide (PubChem CID 88974746) has the molecular formula C8H19N5O and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide
PubChem CID88974746
Molecular FormulaC8H19N5O
Molecular Weight201.27 g/mol
Exact Mass201.16
IUPAC NameN-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide
SMILESCNN(/C=C(\N)CN)CCNC(C)=O
InChIInChI=1S/C8H19N5O/c1-7(14)12-3-4-13(11-2)6-8(10)5-9/h6,11H,3-5,9-10H2,1-2H3,(H,12,14)/b8-6-
InChIKeyNHCANYYXCYPHJG-VURMDHGXSA-N
XLogP-1.68
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide (CID 88974746) is N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide is CNN(/C=C(\N)CN)CCNC(C)=O.
What is the InChIKey of N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide?
The InChIKey is NHCANYYXCYPHJG-VURMDHGXSA-N. The full InChI is InChI=1S/C8H19N5O/c1-7(14)12-3-4-13(11-2)6-8(10)5-9/h6,11H,3-5,9-10H2,1-2H3,(H,12,14)/b8-6-.
What are the key properties of N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide?
N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide has a molecular weight of 201.27 g/mol, XLogP of -1.68, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-2,3-diaminoprop-1-enyl]-(methylamino)amino]ethyl]acetamide is sourced from PubChem (CID 88974746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).