(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride

C6H9ClN4 — CID 168898427

IUPAC(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])\N=C(/C)N
InChIInChI=1S/C6H9ClN4/c1-4(8)11-6(10)3-2-5(7)9/h2-3,9H,1H3,(H3,8,10,11)/b3-2-,9-5-
InChIKeyONBADAGMXJXVPR-RWFDEGICSA-N
MW172.62 g/mol
LogP1.11
Rot. Bonds2

About (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride

(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride (PubChem CID 168898427) has the molecular formula C6H9ClN4 and a molecular weight of 172.62 g/mol. Its IUPAC name is (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride.

Molecular Properties

Compound Name(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
PubChem CID168898427
Molecular FormulaC6H9ClN4
Molecular Weight172.62 g/mol
Exact Mass172.05
IUPAC Name(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride
SMILES[H]/N=C(Cl)/C=C\C(=N\[H])\N=C(/C)N
InChIInChI=1S/C6H9ClN4/c1-4(8)11-6(10)3-2-5(7)9/h2-3,9H,1H3,(H3,8,10,11)/b3-2-,9-5-
InChIKeyONBADAGMXJXVPR-RWFDEGICSA-N
XLogP1.11
TPSA86.08 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.11
H-Bond Donors ≤ 53
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

4-oxopent-2-enimidoyl chloride
CID 123619964
N'-carbamimidoylethanimidamide
CID 20603119
N-(1-aminoethylidene)-2-(methylamino)ethanimidamide
CID 122487479
(Z)-5-amino-4-imino-5-oxopent-2-enimidoyl chloride
CID 166981538
N-[3-[(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl]phenyl]acetamide
CID 156515559
(Z)-4-[[1-amino-2-(5,7-difluoroquinolin-6-yl)ethylidene]amino]-4-iminobut-2-enimidoyl chloride
CID 143662675
N-(1-aminoethylidene)-2-fluoroethanimidamide;1-N,3-N-bis(1-aminoethylidene)propanediimidamide
CID 161421983
ethanimidamide;guanidine
CID 160661984
N-(1-aminopropylidene)carbamimidoyl chloride
CID 90999184
N'-[(Z)-2-amino-1,2-dichloroethenyl]ethanimidamide
CID 176924842
(Z,4E)-4-amino-4-(5-bromo-3-methoxy-1H-pyridin-2-ylidene)but-2-enimidoyl chloride
CID 155722682
N'-[(Z)-2-chloro-2-(ethanimidoylamino)ethenyl]ethanimidamide
CID 176531946

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride?
The IUPAC name of (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride (CID 168898427) is (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride.
What is the SMILES notation for (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride?
The canonical SMILES for (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride is [H]/N=C(Cl)/C=C\C(=N\[H])\N=C(/C)N.
What is the InChIKey of (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride?
The InChIKey is ONBADAGMXJXVPR-RWFDEGICSA-N. The full InChI is InChI=1S/C6H9ClN4/c1-4(8)11-6(10)3-2-5(7)9/h2-3,9H,1H3,(H3,8,10,11)/b3-2-,9-5-.
What are the key properties of (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride?
(Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride has a molecular weight of 172.62 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(1-aminoethylideneamino)-4-iminobut-2-enimidoyl chloride is sourced from PubChem (CID 168898427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).