N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide

C9H15N3O — CID 89341013

IUPACN-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C(=C/N)NC)NC(C)=O
InChIInChI=1S/C9H15N3O/c1-7(12-8(2)13)4-5-9(6-10)11-3/h4-6,11H,1,10H2,2-3H3,(H,12,13)/b5-4-,9-6+
InChIKeyPWRQRTJLVYMKET-KMOPYBJPSA-N
MW181.24 g/mol
LogP0.21
Rot. Bonds4

About N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide

N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide (PubChem CID 89341013) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide.

Molecular Properties

Compound NameN-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
PubChem CID89341013
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide
SMILESC=C(/C=C\C(=C/N)NC)NC(C)=O
InChIInChI=1S/C9H15N3O/c1-7(12-8(2)13)4-5-9(6-10)11-3/h4-6,11H,1,10H2,2-3H3,(H,12,13)/b5-4-,9-6+
InChIKeyPWRQRTJLVYMKET-KMOPYBJPSA-N
XLogP0.21
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide?
The IUPAC name of N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide (CID 89341013) is N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide.
What is the SMILES notation for N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide?
The canonical SMILES for N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide is C=C(/C=C\C(=C/N)NC)NC(C)=O.
What is the InChIKey of N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide?
The InChIKey is PWRQRTJLVYMKET-KMOPYBJPSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(12-8(2)13)4-5-9(6-10)11-3/h4-6,11H,1,10H2,2-3H3,(H,12,13)/b5-4-,9-6+.
What are the key properties of N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide?
N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide has a molecular weight of 181.24 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z,5E)-6-amino-5-(methylamino)hexa-1,3,5-trien-2-yl]acetamide is sourced from PubChem (CID 89341013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).