N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide

C8H17N3O — CID 90382326

IUPACN-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
SMILESCC/C(N)=C/NCCNC(C)=O
InChIInChI=1S/C8H17N3O/c1-3-8(9)6-10-4-5-11-7(2)12/h6,10H,3-5,9H2,1-2H3,(H,11,12)/b8-6-
InChIKeyPLNKLWQKOXWLIK-VURMDHGXSA-N
MW171.24 g/mol
LogP-0.08
Rot. Bonds5

About N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide

N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide (PubChem CID 90382326) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
PubChem CID90382326
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide
SMILESCC/C(N)=C/NCCNC(C)=O
InChIInChI=1S/C8H17N3O/c1-3-8(9)6-10-4-5-11-7(2)12/h6,10H,3-5,9H2,1-2H3,(H,11,12)/b8-6-
InChIKeyPLNKLWQKOXWLIK-VURMDHGXSA-N
XLogP-0.08
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide (CID 90382326) is N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide is CC/C(N)=C/NCCNC(C)=O.
What is the InChIKey of N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide?
The InChIKey is PLNKLWQKOXWLIK-VURMDHGXSA-N. The full InChI is InChI=1S/C8H17N3O/c1-3-8(9)6-10-4-5-11-7(2)12/h6,10H,3-5,9H2,1-2H3,(H,11,12)/b8-6-.
What are the key properties of N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide?
N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(Z)-2-aminobut-1-enyl]amino]ethyl]acetamide is sourced from PubChem (CID 90382326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).