N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide

C8H13IN4 — CID 137420860

IUPACN-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide
SMILES[H]/N=C/N=N/C=C\N(I)/C=C\C(C)C
InChIInChI=1S/C8H13IN4/c1-8(2)3-5-13(9)6-4-11-12-7-10/h3-8,10H,1-2H3/b5-3-,6-4-,10-7+,12-11+
InChIKeyZLFPXKFCGZHQOV-XQZTWLKISA-N
MW292.12 g/mol
LogP3.34
Rot. Bonds5

About N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide

N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide (PubChem CID 137420860) has the molecular formula C8H13IN4 and a molecular weight of 292.12 g/mol. Its IUPAC name is N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide
PubChem CID137420860
Molecular FormulaC8H13IN4
Molecular Weight292.12 g/mol
Exact Mass292.02
IUPAC NameN-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide
SMILES[H]/N=C/N=N/C=C\N(I)/C=C\C(C)C
InChIInChI=1S/C8H13IN4/c1-8(2)3-5-13(9)6-4-11-12-7-10/h3-8,10H,1-2H3/b5-3-,6-4-,10-7+,12-11+
InChIKeyZLFPXKFCGZHQOV-XQZTWLKISA-N
XLogP3.34
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide with MolForge

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Related Compounds

N,N-di(propan-2-yl)methanimidamide
CID 19782034
N-methanimidoyl-N-methyl-N'-propan-2-ylmethanimidamide
CID 144511470
ethane;N-methyl-N-[(Z)-2-methylpropylideneamino]methanimidamide
CID 142912446
(E)-N,N-diethyl-3-methylbut-1-en-1-amine;hydrochloride
CID 155386365
N'-methanimidoyl-N,N-dimethylmethanimidamide
CID 154515557
N-[(Z)-ethylideneamino]-N-propan-2-ylmethanimidamide
CID 166820819
(Z)-1-bromo-3-methylbut-1-ene
CID 14148825
methanimidate;methylazanium
CID 158284762
N'-methyl-N'-[(Z)-3-methylbut-1-enyl]methanediamine
CID 89120905
N-[diethylamino(3-methylbut-1-enyl)silyl]-N-ethylethanamine
CID 154509298
(Z)-N,3-dimethyl-N-[(Z)-prop-1-enyl]but-1-en-1-amine;ethane
CID 142053710
[(Z)-2,5-dimethylhex-3-en-2-yl] methanimidothioate
CID 142338282

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide?
The IUPAC name of N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide (CID 137420860) is N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide.
What is the SMILES notation for N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide?
The canonical SMILES for N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide is [H]/N=C/N=N/C=C\N(I)/C=C\C(C)C.
What is the InChIKey of N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide?
The InChIKey is ZLFPXKFCGZHQOV-XQZTWLKISA-N. The full InChI is InChI=1S/C8H13IN4/c1-8(2)3-5-13(9)6-4-11-12-7-10/h3-8,10H,1-2H3/b5-3-,6-4-,10-7+,12-11+.
What are the key properties of N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide?
N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide has a molecular weight of 292.12 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-[iodo-[(Z)-3-methylbut-1-enyl]amino]ethenyl]iminomethanimidamide is sourced from PubChem (CID 137420860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).