N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide

C7H16N4 — CID 139333475

IUPACN-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide
SMILES[H]/N=C/N(CC(C)NC)/C(C)=N/[H]
InChIInChI=1S/C7H16N4/c1-6(10-3)4-11(5-8)7(2)9/h5-6,8-10H,4H2,1-3H3/b8-5+,9-7+
InChIKeyARJGBDFWYKLBHG-OCIXRKKMSA-N
MW156.23 g/mol
LogP0.50
Rot. Bonds4

About N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide

N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide (PubChem CID 139333475) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide.

Molecular Properties

Compound NameN-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide
PubChem CID139333475
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC NameN-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide
SMILES[H]/N=C/N(CC(C)NC)/C(C)=N/[H]
InChIInChI=1S/C7H16N4/c1-6(10-3)4-11(5-8)7(2)9/h5-6,8-10H,4H2,1-3H3/b8-5+,9-7+
InChIKeyARJGBDFWYKLBHG-OCIXRKKMSA-N
XLogP0.50
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide?
The IUPAC name of N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide (CID 139333475) is N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide.
What is the SMILES notation for N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide?
The canonical SMILES for N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide is [H]/N=C/N(CC(C)NC)/C(C)=N/[H].
What is the InChIKey of N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide?
The InChIKey is ARJGBDFWYKLBHG-OCIXRKKMSA-N. The full InChI is InChI=1S/C7H16N4/c1-6(10-3)4-11(5-8)7(2)9/h5-6,8-10H,4H2,1-3H3/b8-5+,9-7+.
What are the key properties of N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide?
N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide has a molecular weight of 156.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-N-[2-(methylamino)propyl]ethanimidamide is sourced from PubChem (CID 139333475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).