1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine

C14H21IN2 — CID 66063936

IUPAC1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
SMILESCN(CC1CCCCC1)c1ccc(I)cc1N
InChIInChI=1S/C14H21IN2/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h7-9,11H,2-6,10,16H2,1H3
InChIKeyMNCXZHBIDOLMRA-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.89
Rot. Bonds3

About 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine

1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine (PubChem CID 66063936) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
PubChem CID66063936
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
SMILESCN(CC1CCCCC1)c1ccc(I)cc1N
InChIInChI=1S/C14H21IN2/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h7-9,11H,2-6,10,16H2,1H3
InChIKeyMNCXZHBIDOLMRA-UHFFFAOYSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
The IUPAC name of 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine (CID 66063936) is 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine.
What is the SMILES notation for 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
The canonical SMILES for 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine is CN(CC1CCCCC1)c1ccc(I)cc1N.
What is the InChIKey of 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
The InChIKey is MNCXZHBIDOLMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-17(10-11-5-3-2-4-6-11)14-8-7-12(15)9-13(14)16/h7-9,11H,2-6,10,16H2,1H3.
What are the key properties of 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine?
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine has a molecular weight of 344.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine is sourced from PubChem (CID 66063936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).