N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide

C10H13IN2 — CID 86693802

IUPACN'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(I)ccc1/N=C/N(C)C
InChIInChI=1S/C10H13IN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+
InChIKeyCNWMEQYLXPXKLR-KPKJPENVSA-N
MW288.13 g/mol
LogP2.82
Rot. Bonds2

About N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide

N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide (PubChem CID 86693802) has the molecular formula C10H13IN2 and a molecular weight of 288.13 g/mol. Its IUPAC name is N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
PubChem CID86693802
Molecular FormulaC10H13IN2
Molecular Weight288.13 g/mol
Exact Mass288.01
IUPAC NameN'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide
SMILESCc1cc(I)ccc1/N=C/N(C)C
InChIInChI=1S/C10H13IN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+
InChIKeyCNWMEQYLXPXKLR-KPKJPENVSA-N
XLogP2.82
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.82
H-Bond Donors ≤ 50
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'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide (CID 86693802) is N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide is Cc1cc(I)ccc1/N=C/N(C)C.
What is the InChIKey of N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide?
The InChIKey is CNWMEQYLXPXKLR-KPKJPENVSA-N. The full InChI is InChI=1S/C10H13IN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3/b12-7+.
What are the key properties of N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide?
N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide has a molecular weight of 288.13 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-iodo-2-methylphenyl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 86693802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).