(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide

C8H16N2O — CID 137274386

IUPAC(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide
SMILES[H]/N=C(N)/C(=C(/C)O)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-5(11)6(7(9)10)8(2,3)4/h11H,1-4H3,(H3,9,10)/b6-5+
InChIKeyNIAQBJHGJOAMAB-AATRIKPKSA-N
MW156.23 g/mol
LogP1.80
Rot. Bonds1

About (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide

(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide (PubChem CID 137274386) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide.

Molecular Properties

Compound Name(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide
PubChem CID137274386
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide
SMILES[H]/N=C(N)/C(=C(/C)O)C(C)(C)C
InChIInChI=1S/C8H16N2O/c1-5(11)6(7(9)10)8(2,3)4/h11H,1-4H3,(H3,9,10)/b6-5+
InChIKeyNIAQBJHGJOAMAB-AATRIKPKSA-N
XLogP1.80
TPSA70.10 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide?
The IUPAC name of (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide (CID 137274386) is (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide.
What is the SMILES notation for (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide?
The canonical SMILES for (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide is [H]/N=C(N)/C(=C(/C)O)C(C)(C)C.
What is the InChIKey of (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide?
The InChIKey is NIAQBJHGJOAMAB-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2O/c1-5(11)6(7(9)10)8(2,3)4/h11H,1-4H3,(H3,9,10)/b6-5+.
What are the key properties of (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide?
(Z)-2-tert-butyl-3-hydroxybut-2-enimidamide has a molecular weight of 156.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-tert-butyl-3-hydroxybut-2-enimidamide is sourced from PubChem (CID 137274386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).