4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine

C12H19IN2 — CID 66065676

IUPAC4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine
SMILESCCCCCN(C)c1ccc(I)cc1N
InChIInChI=1S/C12H19IN2/c1-3-4-5-8-15(2)12-7-6-10(13)9-11(12)14/h6-7,9H,3-5,8,14H2,1-2H3
InChIKeyZNLPFEXENUGQRU-UHFFFAOYSA-N
MW318.20 g/mol
LogP3.50
Rot. Bonds5

About 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine

4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine (PubChem CID 66065676) has the molecular formula C12H19IN2 and a molecular weight of 318.20 g/mol. Its IUPAC name is 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine
PubChem CID66065676
Molecular FormulaC12H19IN2
Molecular Weight318.20 g/mol
Exact Mass318.06
IUPAC Name4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine
SMILESCCCCCN(C)c1ccc(I)cc1N
InChIInChI=1S/C12H19IN2/c1-3-4-5-8-15(2)12-7-6-10(13)9-11(12)14/h6-7,9H,3-5,8,14H2,1-2H3
InChIKeyZNLPFEXENUGQRU-UHFFFAOYSA-N
XLogP3.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-1-N-methyl-1-N-(2-methylsulfonylethyl)benzene-1,2-diamine
CID 79849719
3-amino-4-[heptyl(methyl)amino]benzoic acid
CID 63117413
2-N,4-N-dibutyl-2-N,4-N-dimethylbenzene-1,2,4,5-tetramine
CID 25223449
1-N-butyl-1-N-methyl-4-methylsulfonylbenzene-1,2-diamine
CID 43447947
2-chloro-1-N-methyl-1-N-pentylbenzene-1,4-diamine
CID 43294737
4-iodo-1-N-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 131048738
4-iodo-1-N-methyl-1-N-[(4-methylphenyl)methyl]benzene-1,2-diamine
CID 66065655
3-amino-4-[butyl(methyl)amino]-N-methylbenzamide
CID 82989106
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
1-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-iodo-1-N-methylbenzene-1,2-diamine
CID 105414091
1-N-(cyclohexylmethyl)-4-iodo-1-N-methylbenzene-1,2-diamine
CID 66063936
5-amino-2-[methyl(tetradecyl)amino]benzoic acid
CID 21388724

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine?
The IUPAC name of 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine (CID 66065676) is 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine.
What is the SMILES notation for 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine?
The canonical SMILES for 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine is CCCCCN(C)c1ccc(I)cc1N.
What is the InChIKey of 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine?
The InChIKey is ZNLPFEXENUGQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2/c1-3-4-5-8-15(2)12-7-6-10(13)9-11(12)14/h6-7,9H,3-5,8,14H2,1-2H3.
What are the key properties of 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine?
4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine has a molecular weight of 318.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-N-methyl-1-N-pentylbenzene-1,2-diamine is sourced from PubChem (CID 66065676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).