N,N'-diamino-N-(2-phenylethyl)ethanimidamide

C10H16N4 — CID 143176208

IUPACN,N'-diamino-N-(2-phenylethyl)ethanimidamide
SMILESC/C(=N/N)N(N)CCc1ccccc1
InChIInChI=1S/C10H16N4/c1-9(13-11)14(12)8-7-10-5-3-2-4-6-10/h2-6H,7-8,11-12H2,1H3/b13-9-
InChIKeyQGJSIJVASURJRS-LCYFTJDESA-N
MW192.27 g/mol
LogP0.70
Rot. Bonds3

About N,N'-diamino-N-(2-phenylethyl)ethanimidamide

N,N'-diamino-N-(2-phenylethyl)ethanimidamide (PubChem CID 143176208) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N,N'-diamino-N-(2-phenylethyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-diamino-N-(2-phenylethyl)ethanimidamide
PubChem CID143176208
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN,N'-diamino-N-(2-phenylethyl)ethanimidamide
SMILESC/C(=N/N)N(N)CCc1ccccc1
InChIInChI=1S/C10H16N4/c1-9(13-11)14(12)8-7-10-5-3-2-4-6-10/h2-6H,7-8,11-12H2,1H3/b13-9-
InChIKeyQGJSIJVASURJRS-LCYFTJDESA-N
XLogP0.70
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

(Z)-2-[amino(2-phenylethyl)amino]-1,2-dibromoethenamine;ethane
CID 144642375
N,N-diamino-2-phenylethanamine
CID 18409381
1-methyl-1-(2-phenylethyl)hydrazine;hydrochloride
CID 46929951
N,N'-diamino-2-(2,3-dimethoxyphenyl)-N-(2-phenylethyl)ethanimidamide
CID 156522412
N,N-dimethyl-2-phenylethanamine;hydrazine
CID 159470324
(E)-1-phenylpropan-2-ylidenehydrazine
CID 15578189
N-methyl-N-(2-phenylethyl)prop-1-en-2-amine
CID 118670285
azane;2-phenylethanamine
CID 23506485
2-[methyl(2-phenylethyl)amino]propanamide
CID 47280413
2-N-methyl-1-phenyl-2-N-(2-phenylethyl)propane-1,2-diamine
CID 65486259
N-(methoxymethyl)-N-(2-phenylethyl)acetamide
CID 102037583
3-[methyl(2-phenylethyl)amino]butan-2-ol
CID 65485936

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-N-(2-phenylethyl)ethanimidamide?
The IUPAC name of N,N'-diamino-N-(2-phenylethyl)ethanimidamide (CID 143176208) is N,N'-diamino-N-(2-phenylethyl)ethanimidamide.
What is the SMILES notation for N,N'-diamino-N-(2-phenylethyl)ethanimidamide?
The canonical SMILES for N,N'-diamino-N-(2-phenylethyl)ethanimidamide is C/C(=N/N)N(N)CCc1ccccc1.
What is the InChIKey of N,N'-diamino-N-(2-phenylethyl)ethanimidamide?
The InChIKey is QGJSIJVASURJRS-LCYFTJDESA-N. The full InChI is InChI=1S/C10H16N4/c1-9(13-11)14(12)8-7-10-5-3-2-4-6-10/h2-6H,7-8,11-12H2,1H3/b13-9-.
What are the key properties of N,N'-diamino-N-(2-phenylethyl)ethanimidamide?
N,N'-diamino-N-(2-phenylethyl)ethanimidamide has a molecular weight of 192.27 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-N-(2-phenylethyl)ethanimidamide is sourced from PubChem (CID 143176208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).