N-[(2-benzylcyclopropyl)methylidene]ethanimidamide

C13H16N2 — CID 134577401

IUPACN-[(2-benzylcyclopropyl)methylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C1CC1Cc1ccccc1
InChIInChI=1S/C13H16N2/c1-10(14)15-9-13-8-12(13)7-11-5-3-2-4-6-11/h2-6,9,12-14H,7-8H2,1H3/b14-10+,15-9+
InChIKeyKIUXYXFXROFOCM-WEIBIQTGSA-N
MW200.29 g/mol
LogP2.93
Rot. Bonds3

About N-[(2-benzylcyclopropyl)methylidene]ethanimidamide

N-[(2-benzylcyclopropyl)methylidene]ethanimidamide (PubChem CID 134577401) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is N-[(2-benzylcyclopropyl)methylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(2-benzylcyclopropyl)methylidene]ethanimidamide
PubChem CID134577401
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC NameN-[(2-benzylcyclopropyl)methylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C1CC1Cc1ccccc1
InChIInChI=1S/C13H16N2/c1-10(14)15-9-13-8-12(13)7-11-5-3-2-4-6-11/h2-6,9,12-14H,7-8H2,1H3/b14-10+,15-9+
InChIKeyKIUXYXFXROFOCM-WEIBIQTGSA-N
XLogP2.93
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-[(2-benzylcyclopropyl)methylidene]ethanimidamide?
The IUPAC name of N-[(2-benzylcyclopropyl)methylidene]ethanimidamide (CID 134577401) is N-[(2-benzylcyclopropyl)methylidene]ethanimidamide.
What is the SMILES notation for N-[(2-benzylcyclopropyl)methylidene]ethanimidamide?
The canonical SMILES for N-[(2-benzylcyclopropyl)methylidene]ethanimidamide is [H]/N=C(C)/N=C/C1CC1Cc1ccccc1.
What is the InChIKey of N-[(2-benzylcyclopropyl)methylidene]ethanimidamide?
The InChIKey is KIUXYXFXROFOCM-WEIBIQTGSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(14)15-9-13-8-12(13)7-11-5-3-2-4-6-11/h2-6,9,12-14H,7-8H2,1H3/b14-10+,15-9+.
What are the key properties of N-[(2-benzylcyclopropyl)methylidene]ethanimidamide?
N-[(2-benzylcyclopropyl)methylidene]ethanimidamide has a molecular weight of 200.29 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-benzylcyclopropyl)methylidene]ethanimidamide is sourced from PubChem (CID 134577401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).