N'-[2-(2-aminoanilino)ethyl]ethanimidamide

C10H16N4 — CID 70070039

IUPACN'-[2-(2-aminoanilino)ethyl]ethanimidamide
SMILESC/C(N)=N\CCNc1ccccc1N
InChIInChI=1S/C10H16N4/c1-8(11)13-6-7-14-10-5-3-2-4-9(10)12/h2-5,14H,6-7,12H2,1H3,(H2,11,13)
InChIKeyBRRJPUWSWKMLMM-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.06
Rot. Bonds4

About N'-[2-(2-aminoanilino)ethyl]ethanimidamide

N'-[2-(2-aminoanilino)ethyl]ethanimidamide (PubChem CID 70070039) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N'-[2-(2-aminoanilino)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(2-aminoanilino)ethyl]ethanimidamide
PubChem CID70070039
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN'-[2-(2-aminoanilino)ethyl]ethanimidamide
SMILESC/C(N)=N\CCNc1ccccc1N
InChIInChI=1S/C10H16N4/c1-8(11)13-6-7-14-10-5-3-2-4-9(10)12/h2-5,14H,6-7,12H2,1H3,(H2,11,13)
InChIKeyBRRJPUWSWKMLMM-UHFFFAOYSA-N
XLogP1.06
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-N-propylbenzene-1,2-diamine
CID 91196578
2-(2-aminoanilino)ethanethiol
CID 10773435
N'-[2-[[5-[2-(dimethylamino)ethylamino]-9,10-dioxoanthracen-1-yl]amino]ethyl]ethanimidamide
CID 88981129
2-N-(3-methylbut-2-enyl)benzene-1,2-diamine
CID 106182311
2-N-but-3-enylbenzene-1,2-diamine
CID 15062875
2-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 63981409
2-N-(3-methylsulfonylpropyl)benzene-1,2-diamine
CID 18334911
2-N-[2-(4-ethylphenyl)ethyl]benzene-1,2-diamine
CID 115124545
2-N-[2-[methyl(propan-2-yl)amino]ethyl]benzene-1,2-diamine
CID 62636793
2-N-[2-(4-methylpiperazin-1-yl)ethyl]benzene-1,2-diamine
CID 22184577
2-N-[2-[cyclopropyl(methyl)amino]ethyl]benzene-1,2-diamine
CID 62975524
2-N-[2-(3,4-dimethylphenyl)ethyl]benzene-1,2-diamine
CID 115124548

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-aminoanilino)ethyl]ethanimidamide?
The IUPAC name of N'-[2-(2-aminoanilino)ethyl]ethanimidamide (CID 70070039) is N'-[2-(2-aminoanilino)ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-(2-aminoanilino)ethyl]ethanimidamide?
The canonical SMILES for N'-[2-(2-aminoanilino)ethyl]ethanimidamide is C/C(N)=N\CCNc1ccccc1N.
What is the InChIKey of N'-[2-(2-aminoanilino)ethyl]ethanimidamide?
The InChIKey is BRRJPUWSWKMLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(11)13-6-7-14-10-5-3-2-4-9(10)12/h2-5,14H,6-7,12H2,1H3,(H2,11,13).
What are the key properties of N'-[2-(2-aminoanilino)ethyl]ethanimidamide?
N'-[2-(2-aminoanilino)ethyl]ethanimidamide has a molecular weight of 192.27 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-aminoanilino)ethyl]ethanimidamide is sourced from PubChem (CID 70070039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).