N-(2-iodophenyl)-1-methylazepan-4-amine

C13H19IN2 — CID 65071250

IUPACN-(2-iodophenyl)-1-methylazepan-4-amine
SMILESCN1CCCC(Nc2ccccc2I)CC1
InChIInChI=1S/C13H19IN2/c1-16-9-4-5-11(8-10-16)15-13-7-3-2-6-12(13)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyPDZPEGMBQWZEAM-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.19
Rot. Bonds2

About N-(2-iodophenyl)-1-methylazepan-4-amine

N-(2-iodophenyl)-1-methylazepan-4-amine (PubChem CID 65071250) has the molecular formula C13H19IN2 and a molecular weight of 330.21 g/mol. Its IUPAC name is N-(2-iodophenyl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(2-iodophenyl)-1-methylazepan-4-amine
PubChem CID65071250
Molecular FormulaC13H19IN2
Molecular Weight330.21 g/mol
Exact Mass330.06
IUPAC NameN-(2-iodophenyl)-1-methylazepan-4-amine
SMILESCN1CCCC(Nc2ccccc2I)CC1
InChIInChI=1S/C13H19IN2/c1-16-9-4-5-11(8-10-16)15-13-7-3-2-6-12(13)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3
InChIKeyPDZPEGMBQWZEAM-UHFFFAOYSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-iodophenyl)-1-methylazepan-4-amine?
The IUPAC name of N-(2-iodophenyl)-1-methylazepan-4-amine (CID 65071250) is N-(2-iodophenyl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(2-iodophenyl)-1-methylazepan-4-amine?
The canonical SMILES for N-(2-iodophenyl)-1-methylazepan-4-amine is CN1CCCC(Nc2ccccc2I)CC1.
What is the InChIKey of N-(2-iodophenyl)-1-methylazepan-4-amine?
The InChIKey is PDZPEGMBQWZEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2/c1-16-9-4-5-11(8-10-16)15-13-7-3-2-6-12(13)14/h2-3,6-7,11,15H,4-5,8-10H2,1H3.
What are the key properties of N-(2-iodophenyl)-1-methylazepan-4-amine?
N-(2-iodophenyl)-1-methylazepan-4-amine has a molecular weight of 330.21 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodophenyl)-1-methylazepan-4-amine is sourced from PubChem (CID 65071250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).