(2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide

C11H21N3O2 — CID 171811511

IUPAC(2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide
SMILESCC(=C/N)/C=C(\N)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C11H21N3O2/c1-8(6-12)5-9(13)10(15)14(4)7-11(2,3)16/h5-6,16H,7,12-13H2,1-4H3/b8-6-,9-5-
InChIKeyOGXFOOVFDINYKV-VZPCVYTNSA-N
MW227.31 g/mol
LogP-0.08
Rot. Bonds4

About (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide

(2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide (PubChem CID 171811511) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide
PubChem CID171811511
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide
SMILESCC(=C/N)/C=C(\N)C(=O)N(C)CC(C)(C)O
InChIInChI=1S/C11H21N3O2/c1-8(6-12)5-9(13)10(15)14(4)7-11(2,3)16/h5-6,16H,7,12-13H2,1-4H3/b8-6-,9-5-
InChIKeyOGXFOOVFDINYKV-VZPCVYTNSA-N
XLogP-0.08
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
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,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide (CID 171811511) is (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide is CC(=C/N)/C=C(\N)C(=O)N(C)CC(C)(C)O.
What is the InChIKey of (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide?
The InChIKey is OGXFOOVFDINYKV-VZPCVYTNSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(6-12)5-9(13)10(15)14(4)7-11(2,3)16/h5-6,16H,7,12-13H2,1-4H3/b8-6-,9-5-.
What are the key properties of (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide?
(2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide has a molecular weight of 227.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2,5-diamino-N-(2-hydroxy-2-methylpropyl)-N,4-dimethylpenta-2,4-dienamide is sourced from PubChem (CID 171811511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).