N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide

C13H18N4 — CID 173486589

IUPACN-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C(\C)C(=C(C)N)c1ccccc1N
InChIInChI=1S/C13H18N4/c1-8(14)13(9(2)17-10(3)15)11-6-4-5-7-12(11)16/h4-7,15H,14,16H2,1-3H3/b13-8?,15-10+,17-9+
InChIKeySPNAKTKLGXCZET-MYEKWRJRSA-N
MW230.31 g/mol
LogP2.42
Rot. Bonds2

About N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide

N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide (PubChem CID 173486589) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide.

Molecular Properties

Compound NameN-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide
PubChem CID173486589
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C(\C)C(=C(C)N)c1ccccc1N
InChIInChI=1S/C13H18N4/c1-8(14)13(9(2)17-10(3)15)11-6-4-5-7-12(11)16/h4-7,15H,14,16H2,1-3H3/b13-8?,15-10+,17-9+
InChIKeySPNAKTKLGXCZET-MYEKWRJRSA-N
XLogP2.42
TPSA88.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

CID 168921879
CID 168921879
1-[2-[(Z)-2-amino-4-iminopent-2-en-3-yl]phenyl]ethanone
CID 143399236
2-amino-N-(1,4-diamino-3-phenyliminobutylidene)benzenecarboximidamide
CID 123985217
N',2-diaminobenzenecarboximidamide
CID 10307874
2-(2-methylbenzenecarboximidoyl)aniline
CID 130017935
2-methoxy-3-[(2Z)-2-(methylhydrazinylidene)propanimidoyl]aniline
CID 166130526
2-[(E)-C-methyl-N-phenoxycarbonimidoyl]aniline
CID 24950153
2-prop-1-en-2-ylbenzenecarboximidamide
CID 147713579
2-(4-fluorobenzenecarboximidoyl)aniline
CID 86616565
bis(2-aminobenzamide);platinum(2+)
CID 50912239
2-aminobenzenecarbothioamide;hydrochloride
CID 172866295
(E)-4-(2-aminophenyl)-4-iminobut-2-enoic acid
CID 143782029

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide?
The IUPAC name of N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide (CID 173486589) is N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide.
What is the SMILES notation for N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide?
The canonical SMILES for N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide is [H]/N=C(C)/N=C(\C)C(=C(C)N)c1ccccc1N.
What is the InChIKey of N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide?
The InChIKey is SPNAKTKLGXCZET-MYEKWRJRSA-N. The full InChI is InChI=1S/C13H18N4/c1-8(14)13(9(2)17-10(3)15)11-6-4-5-7-12(11)16/h4-7,15H,14,16H2,1-3H3/b13-8?,15-10+,17-9+.
What are the key properties of N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide?
N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide has a molecular weight of 230.31 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-(2-aminophenyl)pent-3-en-2-ylidene]ethanimidamide is sourced from PubChem (CID 173486589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).