(2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide

C11H20N4O — CID 176554112

IUPAC(2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide
SMILESNC(N)=C/C=C(\N)C(=O)NC1CCCCC1
InChIInChI=1S/C11H20N4O/c12-9(6-7-10(13)14)11(16)15-8-4-2-1-3-5-8/h6-8H,1-5,12-14H2,(H,15,16)/b9-6-
InChIKeyGKLVXKMLXFZGLA-TWGQIWQCSA-N
MW224.31 g/mol
LogP0.04
Rot. Bonds3

About (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide

(2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide (PubChem CID 176554112) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide
PubChem CID176554112
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name(2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide
SMILESNC(N)=C/C=C(\N)C(=O)NC1CCCCC1
InChIInChI=1S/C11H20N4O/c12-9(6-7-10(13)14)11(16)15-8-4-2-1-3-5-8/h6-8H,1-5,12-14H2,(H,15,16)/b9-6-
InChIKeyGKLVXKMLXFZGLA-TWGQIWQCSA-N
XLogP0.04
TPSA107.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide?
The IUPAC name of (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide (CID 176554112) is (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide.
What is the SMILES notation for (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide?
The canonical SMILES for (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide is NC(N)=C/C=C(\N)C(=O)NC1CCCCC1.
What is the InChIKey of (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide?
The InChIKey is GKLVXKMLXFZGLA-TWGQIWQCSA-N. The full InChI is InChI=1S/C11H20N4O/c12-9(6-7-10(13)14)11(16)15-8-4-2-1-3-5-8/h6-8H,1-5,12-14H2,(H,15,16)/b9-6-.
What are the key properties of (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide?
(2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide has a molecular weight of 224.31 g/mol, XLogP of 0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2,5,5-triamino-N-cyclohexylpenta-2,4-dienamide is sourced from PubChem (CID 176554112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).