N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride

C6H10ClN3 — CID 165385964

IUPACN-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride
SMILESC/N=C(N)/C=C(C)\N=C\Cl
InChIInChI=1S/C6H10ClN3/c1-5(10-4-7)3-6(8)9-2/h3-4H,1-2H3,(H2,8,9)/b5-3-,10-4+
InChIKeyWSOZKVHJZGIWRR-FJQHFOHYSA-N
MW159.62 g/mol
LogP1.14
Rot. Bonds2

About N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride

N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride (PubChem CID 165385964) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride.

Molecular Properties

Compound NameN-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride
PubChem CID165385964
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC NameN-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride
SMILESC/N=C(N)/C=C(C)\N=C\Cl
InChIInChI=1S/C6H10ClN3/c1-5(10-4-7)3-6(8)9-2/h3-4H,1-2H3,(H2,8,9)/b5-3-,10-4+
InChIKeyWSOZKVHJZGIWRR-FJQHFOHYSA-N
XLogP1.14
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.14
H-Bond Donors ≤ 51
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

N-[(Z)-4-methyliminopent-2-en-2-yl]methanimidoyl chloride
CID 167117244
(E)-3-bromo-N'-methylbut-2-enimidamide
CID 123167599
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
(E)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 177427556
(Z)-4,4,4-trifluoro-3-hydroxy-N'-methylbut-2-enimidamide
CID 135889870
N'-methylethanimidamide;vanadium
CID 161014708
N'-hydroxyethanimidamide;N'-methylethanimidamide
CID 172976060
1,2-dichloroprop-1-en-1-amine
CID 140981161
(2Z,4E)-6-methyliminohepta-2,4-dien-4-amine
CID 138740142
(2E,4Z)-N',2-dimethyl-5-sulfanylpenta-2,4-dienimidamide
CID 142082907
methanamine;N'-methylethanimidamide;2-methylprop-1-ene
CID 142054622
2-bromo-3-methyliminobut-1-en-1-amine
CID 173494002

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride?
The IUPAC name of N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride (CID 165385964) is N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride.
What is the SMILES notation for N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride?
The canonical SMILES for N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride is C/N=C(N)/C=C(C)\N=C\Cl.
What is the InChIKey of N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride?
The InChIKey is WSOZKVHJZGIWRR-FJQHFOHYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-5(10-4-7)3-6(8)9-2/h3-4H,1-2H3,(H2,8,9)/b5-3-,10-4+.
What are the key properties of N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride?
N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride has a molecular weight of 159.62 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-amino-4-methyliminobut-2-en-2-yl]methanimidoyl chloride is sourced from PubChem (CID 165385964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).