1-(4-iodophenyl)-N-methyldecan-1-amine

C17H28IN — CID 115831490

IUPAC1-(4-iodophenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(I)cc1
InChIInChI=1S/C17H28IN/c1-3-4-5-6-7-8-9-10-17(19-2)15-11-13-16(18)14-12-15/h11-14,17,19H,3-10H2,1-2H3
InChIKeyQSQPVXIGELLDNO-UHFFFAOYSA-N
MW373.32 g/mol
LogP5.69
Rot. Bonds10

About 1-(4-iodophenyl)-N-methyldecan-1-amine

1-(4-iodophenyl)-N-methyldecan-1-amine (PubChem CID 115831490) has the molecular formula C17H28IN and a molecular weight of 373.32 g/mol. Its IUPAC name is 1-(4-iodophenyl)-N-methyldecan-1-amine.

Molecular Properties

Compound Name1-(4-iodophenyl)-N-methyldecan-1-amine
PubChem CID115831490
Molecular FormulaC17H28IN
Molecular Weight373.32 g/mol
Exact Mass373.13
IUPAC Name1-(4-iodophenyl)-N-methyldecan-1-amine
SMILESCCCCCCCCCC(NC)c1ccc(I)cc1
InChIInChI=1S/C17H28IN/c1-3-4-5-6-7-8-9-10-17(19-2)15-11-13-16(18)14-12-15/h11-14,17,19H,3-10H2,1-2H3
InChIKeyQSQPVXIGELLDNO-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.32
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-iodophenyl)-N-methylpentan-1-amine
CID 115832799
1-(4-iodophenyl)octylhydrazine
CID 105293657
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
1-(4-ethylsulfanylphenyl)-N-methylnonan-1-amine
CID 106848917
N-methyl-1-pyridin-4-yldecan-1-amine
CID 62600532
1-(4-ethoxyphenyl)-N-methylheptan-1-amine
CID 114752328
N-ethyl-1-(4-iodophenyl)pentan-1-amine
CID 115832720
1-(4-iodophenyl)-N,4-dimethylpentan-1-amine
CID 115834286
N-methyl-1-[2-[1-(methylamino)pentadecyl]phenyl]pentadecan-1-amine
CID 57228103
1-(4-fluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 63413897
N-methyl-1-(4-propan-2-yloxyphenyl)hexan-1-amine
CID 43485534
1-(3,4-diethylphenyl)-N-methylnonan-1-amine
CID 115482264

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)-N-methyldecan-1-amine?
The IUPAC name of 1-(4-iodophenyl)-N-methyldecan-1-amine (CID 115831490) is 1-(4-iodophenyl)-N-methyldecan-1-amine.
What is the SMILES notation for 1-(4-iodophenyl)-N-methyldecan-1-amine?
The canonical SMILES for 1-(4-iodophenyl)-N-methyldecan-1-amine is CCCCCCCCCC(NC)c1ccc(I)cc1.
What is the InChIKey of 1-(4-iodophenyl)-N-methyldecan-1-amine?
The InChIKey is QSQPVXIGELLDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28IN/c1-3-4-5-6-7-8-9-10-17(19-2)15-11-13-16(18)14-12-15/h11-14,17,19H,3-10H2,1-2H3.
What are the key properties of 1-(4-iodophenyl)-N-methyldecan-1-amine?
1-(4-iodophenyl)-N-methyldecan-1-amine has a molecular weight of 373.32 g/mol, XLogP of 5.69, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)-N-methyldecan-1-amine is sourced from PubChem (CID 115831490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).