(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide

C10H17N3 — CID 91280064

IUPAC(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide
SMILESC=C(C=CC)/C(C)=C/C(=N/C)NN
InChIInChI=1S/C10H17N3/c1-5-6-8(2)9(3)7-10(12-4)13-11/h5-7H,2,11H2,1,3-4H3,(H,12,13)/b6-5?,9-7+
InChIKeyGNSXYAAKPARAHX-VFEDGGCQSA-N
MW179.27 g/mol
LogP1.56
Rot. Bonds3

About (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide

(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide (PubChem CID 91280064) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide.

Molecular Properties

Compound Name(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide
PubChem CID91280064
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide
SMILESC=C(C=CC)/C(C)=C/C(=N/C)NN
InChIInChI=1S/C10H17N3/c1-5-6-8(2)9(3)7-10(12-4)13-11/h5-7H,2,11H2,1,3-4H3,(H,12,13)/b6-5?,9-7+
InChIKeyGNSXYAAKPARAHX-VFEDGGCQSA-N
XLogP1.56
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide?
The IUPAC name of (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide (CID 91280064) is (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide.
What is the SMILES notation for (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide?
The canonical SMILES for (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide is C=C(C=CC)/C(C)=C/C(=N/C)NN.
What is the InChIKey of (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide?
The InChIKey is GNSXYAAKPARAHX-VFEDGGCQSA-N. The full InChI is InChI=1S/C10H17N3/c1-5-6-8(2)9(3)7-10(12-4)13-11/h5-7H,2,11H2,1,3-4H3,(H,12,13)/b6-5?,9-7+.
What are the key properties of (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide?
(2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-amino-N',3-dimethyl-4-methylidenehepta-2,5-dienimidamide is sourced from PubChem (CID 91280064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).