(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide

C9H17N3 — CID 146272291

IUPAC(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide
SMILESC=C/N=C(N)/C=C(\N)C(C)(C)C
InChIInChI=1S/C9H17N3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H,1,10H2,2-4H3,(H2,11,12)/b7-6-
InChIKeyVLHASFVNDVKKIK-SREVYHEPSA-N
MW167.26 g/mol
LogP1.38
Rot. Bonds2

About (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide

(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide (PubChem CID 146272291) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide
PubChem CID146272291
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide
SMILESC=C/N=C(N)/C=C(\N)C(C)(C)C
InChIInChI=1S/C9H17N3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H,1,10H2,2-4H3,(H2,11,12)/b7-6-
InChIKeyVLHASFVNDVKKIK-SREVYHEPSA-N
XLogP1.38
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide (CID 146272291) is (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide is C=C/N=C(N)/C=C(\N)C(C)(C)C.
What is the InChIKey of (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide?
The InChIKey is VLHASFVNDVKKIK-SREVYHEPSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-12-8(11)6-7(10)9(2,3)4/h5-6H,1,10H2,2-4H3,(H2,11,12)/b7-6-.
What are the key properties of (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide?
(Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide has a molecular weight of 167.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-ethenyl-4,4-dimethylpent-2-enimidamide is sourced from PubChem (CID 146272291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).