N-(2-iodo-4-methylpent-2-enylidene)methanimidamide

C7H11IN2 — CID 122632138

IUPACN-(2-iodo-4-methylpent-2-enylidene)methanimidamide
SMILES[H]/N=C/N=C/C(I)=CC(C)C
InChIInChI=1S/C7H11IN2/c1-6(2)3-7(8)4-10-5-9/h3-6,9H,1-2H3/b7-3?,9-5+,10-4+
InChIKeyPDKBSZXOSRYZIO-JWGUNACSSA-N
MW250.08 g/mol
LogP2.64
Rot. Bonds3

About N-(2-iodo-4-methylpent-2-enylidene)methanimidamide

N-(2-iodo-4-methylpent-2-enylidene)methanimidamide (PubChem CID 122632138) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is N-(2-iodo-4-methylpent-2-enylidene)methanimidamide.

Molecular Properties

Compound NameN-(2-iodo-4-methylpent-2-enylidene)methanimidamide
PubChem CID122632138
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC NameN-(2-iodo-4-methylpent-2-enylidene)methanimidamide
SMILES[H]/N=C/N=C/C(I)=CC(C)C
InChIInChI=1S/C7H11IN2/c1-6(2)3-7(8)4-10-5-9/h3-6,9H,1-2H3/b7-3?,9-5+,10-4+
InChIKeyPDKBSZXOSRYZIO-JWGUNACSSA-N
XLogP2.64
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-4-methylpent-2-enylidene)methanimidamide?
The IUPAC name of N-(2-iodo-4-methylpent-2-enylidene)methanimidamide (CID 122632138) is N-(2-iodo-4-methylpent-2-enylidene)methanimidamide.
What is the SMILES notation for N-(2-iodo-4-methylpent-2-enylidene)methanimidamide?
The canonical SMILES for N-(2-iodo-4-methylpent-2-enylidene)methanimidamide is [H]/N=C/N=C/C(I)=CC(C)C.
What is the InChIKey of N-(2-iodo-4-methylpent-2-enylidene)methanimidamide?
The InChIKey is PDKBSZXOSRYZIO-JWGUNACSSA-N. The full InChI is InChI=1S/C7H11IN2/c1-6(2)3-7(8)4-10-5-9/h3-6,9H,1-2H3/b7-3?,9-5+,10-4+.
What are the key properties of N-(2-iodo-4-methylpent-2-enylidene)methanimidamide?
N-(2-iodo-4-methylpent-2-enylidene)methanimidamide has a molecular weight of 250.08 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-4-methylpent-2-enylidene)methanimidamide is sourced from PubChem (CID 122632138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).