N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide

C10H17N3O — CID 143956409

IUPACN-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide
SMILESC/N=C/C=C\C=C\NCCNC(C)=O
InChIInChI=1S/C10H17N3O/c1-10(14)13-9-8-12-7-5-3-4-6-11-2/h3-7,12H,8-9H2,1-2H3,(H,13,14)/b4-3-,7-5+,11-6+
InChIKeyPFZRYDGDAYMJOT-IYDOLVBSSA-N
MW195.27 g/mol
LogP0.48
Rot. Bonds6

About N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide

N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide (PubChem CID 143956409) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide
PubChem CID143956409
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide
SMILESC/N=C/C=C\C=C\NCCNC(C)=O
InChIInChI=1S/C10H17N3O/c1-10(14)13-9-8-12-7-5-3-4-6-11-2/h3-7,12H,8-9H2,1-2H3,(H,13,14)/b4-3-,7-5+,11-6+
InChIKeyPFZRYDGDAYMJOT-IYDOLVBSSA-N
XLogP0.48
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[(2Z,4Z)-hexa-2,4-dienylidene]amino]ethyl]prop-2-enamide
CID 118373885
N-[2-(methylamino)ethyl]-N-[(E)-1-prop-1-en-2-yliminobut-2-en-2-yl]acetamide
CID 134406768
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethane;N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158253
ethane;N-methylacetamide;molecular hydrogen;N-[(1Z,3Z)-penta-1,3-dienyl]methanimine
CID 143662794
N-[(Z)-2-amino-4-methyliminobut-2-enyl]acetamide;ethane
CID 177244182

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide (CID 143956409) is N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide is C/N=C/C=C\C=C\NCCNC(C)=O.
What is the InChIKey of N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide?
The InChIKey is PFZRYDGDAYMJOT-IYDOLVBSSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(14)13-9-8-12-7-5-3-4-6-11-2/h3-7,12H,8-9H2,1-2H3,(H,13,14)/b4-3-,7-5+,11-6+.
What are the key properties of N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide?
N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1E,3Z)-5-methyliminopenta-1,3-dienyl]amino]ethyl]acetamide is sourced from PubChem (CID 143956409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).