2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide

C10H14N4 — CID 3685928

IUPAC2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C/C(N)=N/[H])cc1
InChIInChI=1S/C10H14N4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
InChIKeyMZSIZKOQJFUIDQ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.64
Rot. Bonds4

About 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide

2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide (PubChem CID 3685928) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
PubChem CID3685928
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC Name2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C/C(N)=N/[H])cc1
InChIInChI=1S/C10H14N4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14)
InChIKeyMZSIZKOQJFUIDQ-UHFFFAOYSA-N
XLogP0.64
TPSA99.74 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenylethanimidamide
CID 27787
2-(4-bromophenyl)ethanimidamide;hydrochloride
CID 21499748
2-pyridin-4-ylethanimidamide
CID 5078674
2-[4-(methylamino)phenyl]ethanimidamide
CID 161445184
2-[4-(2-methylpropyl)phenyl]ethanimidamide
CID 58177919
[1-amino-2-[4-[2-[4-(2-amino-2-iminoethyl)phenyl]ethyl]phenyl]ethylidene]azanium
CID 140688166
2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
methane;2-(4-nitrophenyl)(113C)ethanimidamide
CID 161262683
2-(4-nitrophenyl)ethanimidamide;hydrochloride
CID 46318421
(2S)-2-amino-3-[4-(2-amino-2-iminoethyl)phenyl]propanoic acid
CID 138546911
2-(6-methyl-3-pyridinyl)ethanimidamide
CID 83676272
2-(3-bromo-4-methylphenyl)ethanimidamide
CID 130663671

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide (CID 3685928) is 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(C/C(N)=N/[H])cc1.
What is the InChIKey of 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide?
The InChIKey is MZSIZKOQJFUIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H3,11,12)(H3,13,14).
What are the key properties of 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide?
2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide has a molecular weight of 190.25 g/mol, XLogP of 0.64, 4 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-amino-2-iminoethyl)phenyl]ethanimidamide is sourced from PubChem (CID 3685928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).